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6186-91-0 molecular structure
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3-chloro-2-fluoroprop-1-ene

ChemBase ID: 7176
Molecular Formular: C3H4ClF
Molecular Mass: 94.5152632
Monoisotopic Mass: 93.99855603
SMILES and InChIs

SMILES:
C(=C)(CCl)F
Canonical SMILES:
FC(=C)CCl
InChI:
InChI=1S/C3H4ClF/c1-3(5)2-4/h1-2H2
InChIKey:
OOFDLUQVLPGWMM-UHFFFAOYSA-N

Cite this record

CBID:7176 http://www.chembase.cn/molecule-7176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-2-fluoroprop-1-ene
IUPAC Traditional name
propene, 3-chloro-2-fluoro-
Synonyms
3-Chloro-2-fluoroprop-1-ene
3-Chloro-2-fluoroprop-1-ene 97%
CAS Number
6186-91-0
MDL Number
MFCD01696350
PubChem SID
160970483
PubChem CID
80320

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 80320 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.342685  LogD (pH = 7.4) 1.342685 
Log P 1.342685  Molar Refractivity 20.6028 cm3
Polarizability 7.6609793 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
55°C 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
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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