2-Amino-2-(4-fluorophenyl)butanoic acid
Basic information
- CAS
6272-06-6- Standard SMILES
CCC(N)(C(=O)O)c1ccc(F)cc1- InChIKey
LMDGQKYLPGTGPR-UHFFFAOYSA-N- Molecular formula
- C10H12FNO2
- Average molar mass
- 197.21 g/mol
- Monoisotopic mass
- 197.08520679
Names & identifiers
- Preferred name
- 2-Amino-2-(4-fluorophenyl)butanoic acid
- IUPAC
- 2-amino-2-(4-fluorophenyl)butanoic acid
Names & synonyms
2-amino-2-(4-fluorophenyl)butanoic acid2248-61-56272-06-6NSC37019DTXSID20284380NSC-37019STK893170AKOS000167253AKOS0220606572-amino-2-(4-fluorophenyl)butanoicacidDS-008692CS-0359034
Database identifiers
- CAS
6272-06-6- PubChem CID
- 235535
- DTXSID
DTXSID20284380
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
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Compound notes
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