(2R,3S)-3-(2,4-difluorophenyl)-3,4-epoxy-2-methylbutanoic acid
Basic information
- Standard SMILES
C[C@@H](C(=O)O)[C@]1(c2ccc(F)cc2F)CO1- InChIKey
DHVQDBCRFYZAIZ-KGFZYKRKSA-N- Molecular formula
- C11H10F2O3
- Average molar mass
- 228.19 g/mol
Names & identifiers
- Preferred name
- (2R,3S)-3-(2,4-difluorophenyl)-3,4-epoxy-2-methylbutanoic acid
- IUPAC
- (2R)-2-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]propanoic acid
Names & synonyms
SCHEMBL8700904DHVQDBCRFYZAIZ-KGFZYKRKSA-N(2R,3S)-3-(2,4-difluorophenyl)-3,4-epoxy-2-methylbutanoic acid
Database identifiers
- PubChem CID
- 10242864
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
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Related reactions
1 records
Compound notes
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