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423-72-3 molecular structure
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2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol

ChemBase ID: 6778
Molecular Formular: C13H4F24O
Molecular Mass: 632.1319368
Monoisotopic Mass: 631.98789203
SMILES and InChIs

SMILES:
C(C(C(C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
OCC(C(C(C(C(C(C(C(C(C(C(C(F)F)(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/C13H4F24O/c14-2(15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)13(36,37)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)1-38/h2,38H,1H2
InChIKey:
LNNWSUTUIVJKDJ-UHFFFAOYSA-N

Cite this record

CBID:6778 http://www.chembase.cn/molecule-6778.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol
IUPAC Traditional name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol
Synonyms
1H,1H,13H-Perfluorotridecan-1-ol
1H,1H,13H-Perfluorotridecan-1-ol 97%
CAS Number
423-72-3
MDL Number
MFCD00155920
PubChem SID
160970085
PubChem CID
529307

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 529307 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.621079  H Acceptors
H Donor LogD (pH = 5.5) 7.6548285 
LogD (pH = 7.4) 7.6548257  Log P 7.6548285 
Molar Refractivity 64.1697 cm3 Polarizability 25.895443 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
129-130°C expand Show data source
Boiling Point
129-130°C expand Show data source
Flash Point
none°C expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
true expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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