Basic information
- CAS
34844-50-3- Standard SMILES
CC(C)=CC(O)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
RQLUTZGKUKGXRM-UHFFFAOYSA-N- Molecular formula
- C9H12F6O2
- Average molar mass
- 266.18 g/mol
- Monoisotopic mass
- 266.07414859
Names & identifiers
- Preferred name
- 5-Heptene-2,4-diol, 6-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-
- IUPAC
- 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-5-ene-2,4-diol
Names & synonyms
34844-50-35-HEPTENE-2,4-DIOL, 6-METHYL-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)-RefChem:10729466-Methyl-1,1,1-trifluoro-2-trifluoromethyl-5-heptene-2,4-diolNSC 159949BRN 22749461,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-5-ene-2,4-diolNSC159949DTXSID901384270NSC-159949DS-005929
Database identifiers
- CAS
34844-50-3- PubChem CID
- 36951
- DTXSID
DTXSID901384270- Nikkaji
- J73.669D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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