Basic information
- Standard SMILES
CSCC(C(=O)O)C(F)(F)F- InChIKey
HDUBTWCBEURYOK-UHFFFAOYSA-N- Molecular formula
- C5H7F3O2S
- Average molar mass
- 188.17 g/mol
- Monoisotopic mass
- 188.01188512
Names & identifiers
- Preferred name
- 3,3,3-Trifluoro-2-(methylthiomethyl)propanoic acid
- IUPAC
- 3,3,3-trifluoro-2-(methylsulfanylmethyl)propanoic acid
Names & synonyms
3,3,3-trifluoro-2-(methylthiomethyl)propanoic acidSCHEMBL2690868AKOS019566285
Database identifiers
- PubChem CID
- 80997382
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Related reactions
3 records
Compound notes
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