Basic information
- CAS
34844-12-7- Standard SMILES
CC(C)=CC(=O)CC(O)(C(F)(F)F)C(F)(F)Cl- InChIKey
FHDHACRWSOLHLB-UHFFFAOYSA-N- Molecular formula
- C9H10ClF5O2
- Average molar mass
- 280.62 g/mol
- Monoisotopic mass
- 280.0289481
Names & identifiers
- Preferred name
- 2-Hepten-4-one, 6-(chlorodifluoromethyl)-6-hydroxy-2-methyl-7,7,7-trifluoro-
- IUPAC
- 6-[chloro(difluoro)methyl]-7,7,7-trifluoro-6-hydroxy-2-methylhept-2-en-4-one
Names & synonyms
34844-12-72-HEPTEN-4-ONE, 6-(CHLORODIFLUOROMETHYL)-6-HYDROXY-2-METHYL-7,7,7-TRIFLUORO-RefChem:10632727-Chloro-7,7-difluoro-6-hydroxy-2-methyl-6-trifluoromethyl-2-hepten-4-oneNSC 159962BRN 2455206NSC1599627-Chloro-7,7-difluoro-6-hydroxy-6-trifluoromethyl-2-methyl-2-hepten-4-oneDTXSID901384268NSC-159962DS-005981
Database identifiers
- CAS
34844-12-7- PubChem CID
- 36946
- DTXSID
DTXSID901384268- Nikkaji
- J73.673B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…