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355-08-8 molecular structure
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3,3,4,4,5,5,5-heptafluoropent-1-ene

ChemBase ID: 7702
Molecular Formular: C5H3F7
Molecular Mass: 196.0661424
Monoisotopic Mass: 196.01229764
SMILES and InChIs

SMILES:
C(C(C(C=C)(F)F)(F)F)(F)(F)F
Canonical SMILES:
C=CC(C(C(F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C5H3F7/c1-2-3(6,7)4(8,9)5(10,11)12/h2H,1H2
InChIKey:
LQAPOTKKMIZDGP-UHFFFAOYSA-N

Cite this record

CBID:7702 http://www.chembase.cn/molecule-7702.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3,4,4,5,5,5-heptafluoropent-1-ene
IUPAC Traditional name
3,3,4,4,5,5,5-heptafluoropent-1-ene
Synonyms
1H,1H,2H-Heptafluoropent-1-ene
(Heptafluoropropyl)ethylene
(Perfluoropropyl)ethylene
3,3,4,4,5,5,5-Heptafluoropent-1-ene 97%
CAS Number
355-08-8
71164-40-4
MDL Number
MFCD00039253
PubChem SID
160971009
PubChem CID
67727

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 67727 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2591565  LogD (pH = 7.4) 3.2591565 
Log P 3.2591565  Molar Refractivity 25.9178 cm3
Polarizability 9.411566 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
30-31°C expand Show data source
Flash Point
100°C expand Show data source
Density
1.3391 expand Show data source
Refractive Index
1.2752 expand Show data source
Storage Warning
FLAMMABLE expand Show data source
Flammable expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC4502 external link
Cylinder - 1/4" NPTM connection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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