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380-34-7 molecular structure
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1-ethoxy-1,1,2,3,3,3-hexafluoropropane

ChemBase ID: 6508
Molecular Formular: C5H6F6O
Molecular Mass: 196.0909592
Monoisotopic Mass: 196.03228413
SMILES and InChIs

SMILES:
C(C(C(OCC)(F)F)F)(F)(F)F
Canonical SMILES:
CCOC(C(C(F)(F)F)F)(F)F
InChI:
InChI=1S/C5H6F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3
InChIKey:
DMECHFLLAQSVAD-UHFFFAOYSA-N

Cite this record

CBID:6508 http://www.chembase.cn/molecule-6508.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethoxy-1,1,2,3,3,3-hexafluoropropane
IUPAC Traditional name
1-ethoxy-1,1,2,3,3,3-hexafluoropropane
Synonyms
1,1,1,2,3,3-Hexafluoropropyl ethyl ether
1,1,2,3,3,3-Hexafluoropropyl ethyl ether 97%
CAS Number
380-34-7
MDL Number
MFCD00236122
PubChem SID
160969815
PubChem CID
2775036

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2775036 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.990507  H Acceptors
H Donor LogD (pH = 5.5) 2.5453491 
LogD (pH = 7.4) 2.5453491  Log P 2.5453491 
Molar Refractivity 28.0467 cm3 Polarizability 10.375595 Å3
Polar Surface Area 9.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
71°C expand Show data source
Density
1.321 expand Show data source
Refractive Index
1.305 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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