Basic information
- CAS
40474-00-8- Standard SMILES
Oc1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1- InChIKey
SUAYPOJNKOEGHR-UHFFFAOYSA-N- Molecular formula
- C15H9F3O
- Average molar mass
- 262.23 g/mol
- Monoisotopic mass
- 262.06054939
Names & identifiers
- Preferred name
- Phenol, 4-[[4-(trifluoromethyl)phenyl]ethynyl]-
- IUPAC
- 4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenol
Names & synonyms
Phenol, 4-[[4-(trifluoromethyl)phenyl]ethynyl]-40474-00-8SCHEMBL672493DTXSID10431881SUAYPOJNKOEGHR-UHFFFAOYSA-N4-{[4-(Trifluoromethyl)phenyl]ethynyl}phenol
Database identifiers
- CAS
40474-00-8- PubChem CID
- 9856534
- DTXSID
DTXSID10431881
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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