Basic information
- Standard SMILES
O=C(O)CCSCC1CC1(F)F- InChIKey
CFNLMHGOXWWOQX-UHFFFAOYSA-N- Molecular formula
- C7H10F2O2S
- Average molar mass
- 196.22 g/mol
Names & identifiers
- Preferred name
- 3-(((2,2-Difluorocyclopropyl)methyl)thio)propanoic acid
- IUPAC
- 3-[(2,2-difluorocyclopropyl)methylsulfanyl]propanoic acid
Names & synonyms
3-(((2,2-difluorocyclopropyl)methyl)thio)propanoic acidSCHEMBL153469703-(((2,2-difluorocyclopropyl)-methyl)thio)propanoic acid
Database identifiers
- PubChem CID
- 86700565
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Related reactions
16 records
Compound notes
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