Basic information
- CAS
34844-51-4- Standard SMILES
OC(CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1- InChIKey
IOXCYVTZRDCFPD-UHFFFAOYSA-N- Molecular formula
- C11H10F6O2
- Average molar mass
- 288.19 g/mol
- Monoisotopic mass
- 288.05849853
Names & identifiers
- Preferred name
- 2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-
- IUPAC
- 4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
Names & synonyms
34844-51-42,4-BUTANEDIOL, 4-PHENYL-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)-RefChem:10596731-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediolNSC 162296NSC162296SCHEMBL4817914IOXCYVTZRDCFPD-UHFFFAOYSA-NNSC-162296
Database identifiers
- CAS
34844-51-4- PubChem CID
- 36952
- Nikkaji
- J64.645H
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
- 19
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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