Basic information
- CAS
476155-31-4- Standard SMILES
OCc1ccc(-c2ccc(C(F)(F)F)cc2)s1- InChIKey
QNLDXSWFUQVXSB-UHFFFAOYSA-N- Molecular formula
- C12H9F3OS
- Average molar mass
- 258.26 g/mol
- Monoisotopic mass
- 258.03262057
Names & identifiers
- Preferred name
- 2-Thiophenemethanol, 5-[4-(trifluoromethyl)phenyl]-
- IUPAC
- [5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol
Names & synonyms
476155-31-42-Thiophenemethanol, 5-[4-(trifluoromethyl)phenyl]-5-[4-(Trifluoromethyl)phenyl]-2-thiophenemethanol(5-(4-(Trifluoromethyl)phenyl)thiophen-2-yl)methanol[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol{5-[4-(Trifluoromethyl)phenyl]thiophen-2-yl}methanolSCHEMBL2240763DTXSID001232054MFCD27924243[5-[4-(trifluoromethyl)phenyl]-2-thienyl]methanolA1-35610[5-(4-Trifluoromethyl-phenyl)-thiophen-2-yl]-methanol
Database identifiers
- CAS
476155-31-4- PubChem CID
- 21986352
- DTXSID
DTXSID001232054
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Related reactions
14 records
Compound notes
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