1-(3-Chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-ol
Basic information
- CAS
100482-51-7- Standard SMILES
OC(C=C(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1- InChIKey
YOGOWSFLAGROET-UHFFFAOYSA-N- Molecular formula
- C11H7ClF6O
- Average molar mass
- 304.61 g/mol
- Monoisotopic mass
- 304.0089615
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-ol
- IUPAC
- 1-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-ol
- English name
- 1-(m-Chlorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-ol
- Molecular weight
- 0
Names & synonyms
100482-51-71-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-olDTXSID50905536RefChem:1054155DTXCID6013346401-(m-Chlorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-ol1-(3-Chlorophenyl)-4,4,4-Trifluoro-3-Trifluoromethyl-2-Buten-1-OlNSC1620442-BUTEN-1-OL, 1-(m-CHLOROPHENYL)-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-NSC-162044Benzenemethanol, 3-chloro-.alpha.-[3,3,3-trifluoro-2-(trifluoromethyl)-1-propen-1-yl]-
Database identifiers
- CAS
100482-51-7- PubChem CID
- 57911
- DTXSID
DTXSID50905536- Nikkaji
- J65.751D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
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Compound notes
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