Basic information
- CAS
89619-11-4- Standard SMILES
COc1ccc(C#CC(O)C(F)(F)F)cc1- InChIKey
GCAPCQLCSDANQB-UHFFFAOYSA-N- Molecular formula
- C11H9F3O2
- Average molar mass
- 230.18 g/mol
- Monoisotopic mass
- 230.05546401
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol
- IUPAC
- 1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol
Names & synonyms
1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol89619-11-4NSC 298375NSC298375DTXSID90315998HS-7906NSC-2983753-Butyn-2-ol, 1,1,1-trifluoro-4-(4-methoxyphenyl)-
Database identifiers
- CAS
89619-11-4- PubChem CID
- 326692
- DTXSID
DTXSID90315998
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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