Basic information
- Standard SMILES
NCC(F)c1ccc(F)cc1.O=C(O)Cc1ccc(F)cc1F- InChIKey
GHUKZPMMFUJYHW-UHFFFAOYSA-N- Molecular formula
- C16H15F4NO2
- Average molar mass
- 329.29 g/mol
- Monoisotopic mass
- 329.10389137
Names & identifiers
- Preferred name
- 2,4-difluorophenylethylamine 2,4-Difluorophenylacetic acid
- IUPAC
- 2-(2,4-difluorophenyl)acetic acid;2-fluoro-2-(4-fluorophenyl)ethanamine
Names & synonyms
SCHEMBL6084114GHUKZPMMFUJYHW-UHFFFAOYSA-N2,4-difluorophenylethylamine 2,4-Difluorophenylacetic acid
Database identifiers
- PubChem CID
- 69658587
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 283
Related reactions
1 records
Compound notes
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