Basic information
- Standard SMILES
C[C@@H]1C[C@H]1C(=O)Nc1cc(-c2ccc(C(C)(F)F)cc2)ns1- InChIKey
FMJNSYLZBFGXKQ-BXKDBHETSA-N- Molecular formula
- C16H16F2N2OS
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- (R,R)-N-[3-[4-(1,1-difluoroethyl)phenyl]isothiazol-5-yl]-2-methylcyclopropane-carboxamide
- IUPAC
- trans-(1R,2R)-N-[3-[4-(1,1-difluoroethyl)phenyl]-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
Names & synonyms
(R,R)-N-[3-[4-(1,1-difluoroethyl)phenyl]isothiazol-5-yl]-2-methylcyclopropane-carboxamideSCHEMBL1842201
Database identifiers
- PubChem CID
- 67182385
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
1 records
Compound notes
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