Basic information
- Standard SMILES
C=CC[C@H](C)Oc1cc(C)c(F)cc1B(O)O- InChIKey
DLDYBWKQZSVUJT-VIFPVBQESA-N- Molecular formula
- C12H16BFO3
- Average molar mass
- 238.06 g/mol
Names & identifiers
- Preferred name
- (S)-(5-fluoro-4-methyl-2-(pent-4-en-2-yloxy)phenyl)boronic acid
- IUPAC
- [5-fluoro-4-methyl-2-[(2S)-pent-4-en-2-yl]oxyphenyl]boronic acid
Names & synonyms
SCHEMBL17007965DLDYBWKQZSVUJT-VIFPVBQESA-N(S)-(5-Fluoro-4-methyl-2-(pent-4-en-2-yloxy)phenyl) boronic acid(S)-(5-fluoro-4-methyl-2-(pent-4-en-2-yloxy)phenyl)boronic acid
Database identifiers
- PubChem CID
- 123357166
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Related reactions
2 records
Compound notes
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