Basic information
- CAS
34844-08-1- Standard SMILES
CC(C(O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
USWUWAGJWLNXBZ-UHFFFAOYSA-N- Molecular formula
- C12H12F6O2
- Average molar mass
- 302.21 g/mol
- Monoisotopic mass
- 302.07414859
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
- IUPAC
- 4,4,4-trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
Names & synonyms
34844-08-14,4,4-trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diolDTXSID00956316RefChem:1069305DTXCID601384283NSC6641861,3-BUTANEDIOL, 2-METHYL-1-PHENYL-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-BRN 1993573alpha-((2-Hydroxy-1-methyl-3,3,3-trifluoro-2-trifluoromethyl)propyl)benzyl alcoholBenzyl alcohol, alpha-(2-hydroxy-1-methyl-3,3,3-trifluoro-2-trifluoromethylpropyl)-SCHEMBL4816863CHEMBL2001534
Show more names
USWUWAGJWLNXBZ-UHFFFAOYSA-NNSC-664186NCI60_0220851,3-Butanediol, 4,4,4-trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)-4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)-1,3-butanediol
Database identifiers
- CAS
34844-08-1- PubChem CID
- 36944
- DTXSID
DTXSID00956316- ChEMBL
CHEMBL2001534- Nikkaji
- J64.640G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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