Basic information
- Standard SMILES
Cc1cc(-c2ccc(C(F)(F)F)c(F)c2F)sc1CO- InChIKey
XFVXLZCYIMSQFI-UHFFFAOYSA-N- Molecular formula
- C13H9F5OS
- Average molar mass
- 308.27 g/mol
Names & identifiers
- Preferred name
- {5-[2,3-Difluoro-4-(trifluoromethyl)phenyl]-3-methylthien-2-yl}methanol
- IUPAC
- [5-[2,3-difluoro-4-(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]methanol
Names & synonyms
{5-[2,3-difluoro-4-(trifluoromethyl)phenyl]-3-methylthien-2-yl}methanolSCHEMBL5862026
Database identifiers
- PubChem CID
- 21986476
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
2 records
Compound notes
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