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559-14-8 molecular structure
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hexadecafluorooct-1-ene

ChemBase ID: 12095
Molecular Formular: C8F16
Molecular Mass: 400.0600512
Monoisotopic Mass: 399.97445152
SMILES and InChIs

SMILES:
C(=C(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Canonical SMILES:
FC(=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F
InChI:
InChI=1S/C8F16/c9-1(2(10)11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
InChIKey:
YCBPKOZNGFQMPB-UHFFFAOYSA-N

Cite this record

CBID:12095 http://www.chembase.cn/molecule-12095.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexadecafluorooct-1-ene
IUPAC Traditional name
hexadecafluorooct-1-ene
Synonyms
Perfluorooctene-1
Perfluorooct-1-ene
CAS Number
559-14-8
MDL Number
MFCD00236708
PubChem SID
160975402
PubChem CID
2782409

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2782409 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3156548  LogD (pH = 7.4) 5.3156548 
Log P 5.3156548  Molar Refractivity 51.1792 cm3
Polarizability 15.671421 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
105°C 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
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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