Basic information
- CAS
34815-14-0- Standard SMILES
CCCCOC(=O)CCCNC(=O)C(F)(F)F- InChIKey
CFFCMHHEKDWKGF-UHFFFAOYSA-N- Molecular formula
- C10H16F3NO3
- Average molar mass
- 255.23 g/mol
- Monoisotopic mass
- 255.10822786
Names & identifiers
- Preferred name
- Butanoic acid, 4-[(trifluoroacetyl)amino]-, butyl ester
- IUPAC
- butyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
- English name
- 4-[(Trifluoroacetyl)amino]butanoic acid butyl ester
- Molecular formula
- C10H16F3NO3
- Molecular weight
- 255.23
Names & synonyms
34815-14-0Butanoic acid, 4-[(trifluoroacetyl)amino]-, butyl ester4-[(Trifluoroacetyl)amino]butanoic acid butyl esterbutyl 4-(2,2,2-trifluoroacetamido)butanoateButyl N-(trifluoroacetyl)-.gamma.-aminobutyrateDTXSID00336578CFFCMHHEKDWKGF-UHFFFAOYSA-NButyl 4-[(trifluoroacetyl)amino]butanoateDB-262818.gamma.-Aminobutyric acid, butyl ester, TFAButanoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, butyl ester
Database identifiers
- CAS
34815-14-0- PubChem CID
- 534737
- DTXSID
DTXSID00336578- Nikkaji
- J103.319K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 310.4 · 310.4±42.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 11.15 · 11.15±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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