Basic information
- CAS
34848-34-5- Standard SMILES
CC(C(O)c1ccc(Br)cc1)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
BNKKVEOQNMYQKJ-UHFFFAOYSA-N- Molecular formula
- C12H11BrF6O2
- Average molar mass
- 381.11 g/mol
- Monoisotopic mass
- 379.98466
Names & identifiers
- Preferred name
- 1,3-Butanediol, 1-(p-bromophenyl)-2-methyl-3-trifluoromethyl-4,4,4-trifluoro-
- IUPAC
- 1-(4-bromophenyl)-4,4,4-trifluoro-2-methyl-3-(trifluoromethyl)butane-1,3-diol
Names & synonyms
34848-34-51,3-BUTANEDIOL, 1-(p-BROMOPHENYL)-2-METHYL-3-TRIFLUOROMETHYL-4,4,4-TRIFLUORO-RefChem:1052745NSC 162232BRN 2001908NSC1622321-(4-Bromophenyl)-2-methyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol1-(4-bromophenyl)-4,4,4-trifluoro-2-methyl-3-(trifluoromethyl)butane-1,3-diolDTXSID20956338NSC-162232
Database identifiers
- CAS
34848-34-5- PubChem CID
- 36964
- DTXSID
DTXSID20956338- Nikkaji
- J64.623G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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