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6066-46-2 molecular structure
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2-chloro-2,3,3,3-tetrafluoropropanoyl chloride

ChemBase ID: 57327
Molecular Formular: C3Cl2F4O
Molecular Mass: 198.9311128
Monoisotopic Mass: 197.92623286
SMILES and InChIs

SMILES:
C(C(C(=O)Cl)(F)Cl)(F)(F)F
Canonical SMILES:
ClC(=O)C(C(F)(F)F)(Cl)F
InChI:
InChI=1S/C3Cl2F4O/c4-1(10)2(5,6)3(7,8)9
InChIKey:
UNATUTDSNCSLAP-UHFFFAOYSA-N

Cite this record

CBID:57327 http://www.chembase.cn/molecule-57327.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-2,3,3,3-tetrafluoropropanoyl chloride
IUPAC Traditional name
2-chloro-2,3,3,3-tetrafluoropropanoyl chloride
Synonyms
2-Chloro-2,3,3,3-tetrafluoropropanoyl chloride
2-Chlorotetrafluoropropanoyl chloride
CAS Number
6066-46-2
MDL Number
MFCD00155717
PubChem SID
162062090
PubChem CID
2782498

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2782498 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5763824  LogD (pH = 7.4) 2.5763824 
Log P 2.5763824  Molar Refractivity 27.0989 cm3
Polarizability 10.307477 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
47-48.5°C expand Show data source
Storage Warning
Corrosive/Moisture Sensitive expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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