Basic information
- CAS
372-74-7- Standard SMILES
CCOC(=O)CNC(=O)CF- InChIKey
QIWSVAKAGUNSIK-UHFFFAOYSA-N- Molecular formula
- C6H10FNO3
- Average molar mass
- 163.15 g/mol
- Monoisotopic mass
- 163.06447134
Names & identifiers
- Preferred name
- Acetic acid, (2-fluoroacetamido)-, ethyl ester
- IUPAC
- ethyl 2-[(2-fluoroacetyl)amino]acetate
- English name
- N-(Fluoroacetyl)glycine ethyl ester
- Molecular formula
- C6H10FNO3
- Molecular weight
- 163.15
Names & synonyms
Ethyl fluoroacetamidoacetateFluoroacetamidoacetic acid, ethyl ester372-74-7ACETIC ACID, (2-FLUOROACETAMIDO)-, ETHYL ESTERBRN 1775100DTXSID601906933-04-00-01151 (Beilstein Handbook Reference)RefChem:316163DTXCID00113184ethyl n-(fluoroacetyl)glycinateN-(Fluoroacetyl)glycine ethyl esterGlycine, N-(fluoroacetyl)-, ethyl ester (8CI,9CI)
Database identifiers
- CAS
372-74-7- PubChem CID
- 9749
- DTXSID
DTXSID60190693- Nikkaji
- J55.316F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 50 · 50-50.5 °C
- Boiling point
- 270.8 · 270.8±20.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- pka
- 12.34 · 12.34±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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