Basic information
- CAS
582-99-0- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(F)cc1- InChIKey
FLZPJYSTEZNMFW-UHFFFAOYSA-N- Molecular formula
- C13H18FNO2
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.13215698
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 4-fluorobenzoate
- IUPAC
- 2-(diethylamino)ethyl 4-fluorobenzoate
Names & synonyms
2-(diethylamino)ethyl 4-fluorobenzoate582-99-0benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl esterDTXSID40274763STK009310AKOS003658695
Database identifiers
- CAS
582-99-0- PubChem CID
- 24252
- DTXSID
DTXSID40274763
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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