55154-18-2|Fluoroether E6|Fluoroether E-6|2H-Perfluoro-5,8,11,14,17-pentamethyl-3...

2D 3D Down Zoom

1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-hexacosafluoro-5,8,11,14,17-pentakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosane: ChemBase ID: 8993; Molecular Formular: C20HF41O6; Molecular Mass: 1116.1528712; Monoisotopic Mass: 1115.91184477
SMILES and InChIs

SMILES:
O(C(C(F)(F)F)F)C(C(OC(C(OC(C(OC(C(OC(C(OC(C(F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F
Canonical SMILES:
FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F
InChI:
InChI=1S/C20HF41O6/c21-1(2(22,23)24)62-16(52,53)4(27,10(35,36)37)64-18(56,57)6(29,12(41,42)43)66-20(60,61)8(31,14(47,48)49)67-19(58,59)7(30,13(44,45)46)65-17(54,55)5(28,11(38,39)40)63-15(50,51)3(25,26)9(32,33)34/h1H
InChIKey:
RPIANCZCOWLFSM-UHFFFAOYSA-N
Cite this record CBID:8993 http://www.chembase.cn/molecule-8993.html

NAMES AND DATABASE IDS

Names Database IDs

IUPAC name

1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-hexacosafluoro-5,8,11,14,17-pentakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosane

IUPAC Traditional name

1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-hexacosafluoro-5,8,11,14,17-pentakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosane

Synonyms

2H-Perfluoro-5,8,11,14,17-pentamethyl-3,6,9,12,15,18-hexaoxahenicosane

Fluoroether E6

2H-Perfluoro-5,8,11,14,17-pentamethyl-3,6,9,12,15,18-hexaoxaheneicosane

Fluoroether E-6

2H-Perfluoro(5,8,11,14,17-pentamethyl-3,6,9,12,15,18-hexaoxaeicosane) 95%

2H-全氟-5,8,11,14,17-五甲基-3,6,9,12,15,18-六氧杂廿一烷

CAS Number

55154-18-2

MDL Number

MFCD06248658

PubChem SID

160972300

PubChem CID

123535

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

Data Source	Data ID
Alfa Aesar	L16951
Matrix Scientific	005082
Apollo Scientific	PC3866
PubChem	123535

Data Source

Data ID

Price

Alfa Aesar

L16951

Please log in.

Matrix Scientific

005082

Please log in.

Apollo Scientific

PC3866

Please log in.

Data Source	Data ID
PubChem	123535

CALCULATED PROPERTIES

JChem

Acid pKa	18.865005	H Acceptors	6
H Donor	0	LogD (pH = 5.5)	15.912996
LogD (pH = 7.4)	15.912996	Log P	15.912996
Molar Refractivity	112.8713 cm³	Polarizability	44.080147 Å³
Polar Surface Area	55.38 Å²	Rotatable Bonds	25
Lipinski's Rule of Five	false

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)

Melting Point

-72°C	Show data source Matrix Scientific - 005082 Apollo Scientific Ltd - PC3866
-72°C	Show data source Alfa Aesar - L16951

Boiling Point

108-110°C/1mm	Show data source Matrix Scientific - 005082 Apollo Scientific Ltd - PC3866
108-110°C/1mm	Show data source Alfa Aesar - L16951

Flash Point

None	Show data source Alfa Aesar - L16951

Density

1.796	Show data source Apollo Scientific Ltd - PC3866 Alfa Aesar - L16951
1.8	Show data source Matrix Scientific - 005082

Storage Warning

Irritant

Show data source

MSDS Link

Download

Show data source

TSCA Listed

false	Show data source Matrix Scientific - 005082
是	Show data source Alfa Aesar - L16951

Purity

95%	Show data source Matrix Scientific - 005082

DETAILS

REFERENCES

From Suppliers Google Scholar Icon

Google Scholar PubMed icon

PubMed

Google Books

No data available

Searching...Please wait...

PATENTS

PubChem Patent Google Patent Search Icon

Google Patent

INTERNET

Baidu

Google

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified

1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-hexacosafluoro-5,8,11,14,17-pentakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosane

SMILES and InChIs

Cite this record

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

DATA SOURCES

DATA SOURCES

CALCULATED PROPERTIES

CALCULATED PROPERTIES

PROPERTIES

PROPERTIES

DETAILS

DETAILS

REFERENCES

REFERENCES

PATENTS

PATENTS

INTERNET

INTERNET