2-(Butylethylamino)-5-fluorobenzoic acid
Basic information
- CAS
1096809-51-6- Standard SMILES
CCCCN(CC)c1ccc(F)cc1C(=O)O- InChIKey
HZMWHGGYBXAZJW-UHFFFAOYSA-N- Molecular formula
- C13H18FNO2
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.13215698
Names & identifiers
- Preferred name
- 2-(Butylethylamino)-5-fluorobenzoic acid
- IUPAC
- 2-[butyl(ethyl)amino]-5-fluorobenzoic acid
Names & synonyms
2-(Butylethylamino)-5-fluorobenzoic acidDTXSID301273805AKOS0058668441096809-51-62-[butyl(ethyl)amino]-5-fluorobenzoic acid
Database identifiers
- CAS
1096809-51-6- PubChem CID
- 43312976
- DTXSID
DTXSID301273805
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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