Basic information
- CAS
18283-39-1- Standard SMILES
CCC(C)C(F)(C(N)=O)C(=O)O- InChIKey
AVDTUHXDIGHCSP-UHFFFAOYSA-N- Molecular formula
- C7H12FNO3
- Average molar mass
- 177.17 g/mol
- Monoisotopic mass
- 177.08012141
Names & identifiers
- Preferred name
- 2-Carbamoyl-2-fluoro-3-methylpentanoic acid
- IUPAC
- 2-carbamoyl-2-fluoro-3-methylpentanoic acid
Names & synonyms
18283-39-12-carbamoyl-2-fluoro-3-methylpentanoic acidNSC87257NCIOpen2_001110DTXSID20293119NSC-87257
Database identifiers
- CAS
18283-39-1- PubChem CID
- 258396
- DTXSID
DTXSID20293119
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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