Basic information
- CAS
34844-49-0- Standard SMILES
CC(C)=CC(O)CC(O)(C(F)(F)F)C(F)(F)Cl- InChIKey
HDOWUJIINVFPRZ-UHFFFAOYSA-N- Molecular formula
- C9H12ClF5O2
- Average molar mass
- 282.63 g/mol
- Monoisotopic mass
- 282.0445981
Names & identifiers
- Preferred name
- 5-Heptene-2,4-diol, 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)-
- IUPAC
- 1-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)hept-5-ene-2,4-diol
Names & synonyms
34844-49-05-HEPTENE-2,4-DIOL, 1-CHLORO-1,1-DIFLUORO-6-METHYL-2-(TRIFLUOROMETHYL)-RefChem:10729451-Chloro-1,1-difluoro-6-methyl-2-trifluoromethyl-5-heptene-2,4-diolBRN 22749901-chloro-1,1-difluoro-6-methyl-2-(trifluoromethyl)hept-5-ene-2,4-diolDTXSID30956329
Database identifiers
- CAS
34844-49-0- PubChem CID
- 36950
- DTXSID
DTXSID30956329- Nikkaji
- J73.667H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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