4-Chloro-4,4-difluoro-2-butanone
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Basic information
- CAS
1515-16-8- Standard SMILES
CC(=O)CC(F)(F)Cl- InChIKey
SMCIAOVKUXCWGS-UHFFFAOYSA-N- Molecular formula
- C4H5ClF2O
- Average molar mass
- 142.53 g/mol
- Monoisotopic mass
- 141.9996988
Names & identifiers
- Preferred name
- 4-Chloro-4,4-difluoro-2-butanone
- IUPAC
- 4-chloro-4,4-difluorobutan-2-one
- English name
- 4-Chloro-4,4-difluoro-2-butanone
- Molecular formula
- C4H5ClF2O
- Molecular weight
- 142.53
Names & synonyms
4-Chloro-4,4-difluoro-2-butanone4-chloro-4,4-difluorobutan-2-one1515-16-82-Butanone, 4-chloro-4,4-difluoro-DTXSID80336854SMCIAOVKUXCWGS-UHFFFAOYSA-N4-Chloro-4,4-difluoro-2-butanone #
Database identifiers
- CAS
1515-16-8- PubChem CID
- 536783
- DTXSID
DTXSID80336854- Nikkaji
- J101.278I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Butanone, 4-chloro-4,4-difluoro- (1515-16-8)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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