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15290-77-4 molecular structure
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1,1,2,2,3,3,4-heptafluorocyclopentane

ChemBase ID: 11967
Molecular Formular: C5H3F7
Molecular Mass: 196.0661424
Monoisotopic Mass: 196.01229764
SMILES and InChIs

SMILES:
C1(C(CC(C1(F)F)(F)F)F)(F)F
Canonical SMILES:
FC1CC(C(C1(F)F)(F)F)(F)F
InChI:
InChI=1S/C5H3F7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2
InChIKey:
IDBYQQQHBYGLEQ-UHFFFAOYSA-N

Cite this record

CBID:11967 http://www.chembase.cn/molecule-11967.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,2,2,3,3,4-heptafluorocyclopentane
IUPAC Traditional name
1,1,2,2,3,3,4-heptafluorocyclopentane
Synonyms
1H,1H,2H-Heptafluorocyclopentane
1,1,2,2,3,3,4-Heptafluorocyclopentane
1H,1H,2H-Perfluorocyclopentane
CAS Number
15290-77-4
MDL Number
MFCD03844796
PubChem SID
160975274
PubChem CID
3853245

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3853245 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6329882  LogD (pH = 7.4) 2.6329882 
Log P 2.6329882  Molar Refractivity 22.7262 cm3
Polarizability 9.068888 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
82.5°C expand Show data source
Density
1.580 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
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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