Basic information
- CAS
101913-92-2- Standard SMILES
CC(C)CC(=O)CC(Cl)(C(F)(F)F)C(F)(F)F- InChIKey
OQZHHNFWZUUXMV-UHFFFAOYSA-N- Molecular formula
- C9H11ClF6O
- Average molar mass
- 284.62 g/mol
- Monoisotopic mass
- 284.0402616
Names & identifiers
- Preferred name
- 4-Heptanone, 2-chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-
- IUPAC
- 2-chloro-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-4-one
- English name
- 2-Chloro-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)-4-heptanone
- Molecular weight
- 0
Names & synonyms
101913-92-22-Chloro-6-methyl-1,1,1-trifluoro-2-trifluroromethyl-4-heptanone4-HEPTANONE, 2-CHLORO-6-METHYL-1,1,1-TRIFLUORO-2-TRIFLUOROMETHYL-DTXSID50144342RefChem:293002DTXCID90668332-chloro-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-4-oneNSC1620532-Chloro-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)-4-heptanoneNSC-1620534-Heptanone, 2-chloro-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)-?2-Chloro-6-methyl-1,1,1-trifluoro-2-trifluoromethyl-4-heptanone
Database identifiers
- CAS
101913-92-2- PubChem CID
- 59104
- DTXSID
DTXSID50144342- Nikkaji
- J73.658I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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