1,3-Butanediol, 1-(m-chlorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
Basic information
- CAS
34848-22-1- Standard SMILES
OC(CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1- InChIKey
ZJZRKRQGCWWBSW-UHFFFAOYSA-N- Molecular formula
- C11H9ClF6O2
- Average molar mass
- 322.63 g/mol
- Monoisotopic mass
- 322.0195262
Names & identifiers
- Preferred name
- 1,3-Butanediol, 1-(m-chlorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
- IUPAC
- 1-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butane-1,3-diol
Names & synonyms
34848-22-11,3-BUTANEDIOL, 1-(m-CHLOROPHENYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-RefChem:10527431-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butane-1,3-diolm-Chloro-alpha-(2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)benzyl alcoholNSC 162056BRN 2294572NSC162056alpha-((2-Hydroxy-3,3,3-trifluoro-2-trifluoromethyl)-propyl)-m-chlorobenzyl alcoholBenzyl alcohol, m-chloro-alpha-(2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-orb1986808DTXSID601384271
Show more names
AKOS040749880NSC-162056T29274
Database identifiers
- CAS
34848-22-1- PubChem CID
- 36953
- DTXSID
DTXSID601384271- Nikkaji
- J64.630J
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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