Basic information
- CAS
254900-56-6- Standard SMILES
CCOC(=O)NC(Nc1ccccc1)(C(=O)OCC)C(F)(F)F- InChIKey
SKNOMWTZPMUKNL-UHFFFAOYSA-N- Molecular formula
- C14H17F3N2O4
- Average molar mass
- 334.29 g/mol
- Monoisotopic mass
- 334.11404151
Names & identifiers
- Preferred name
- Propanoic acid, 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-(phenylamino)-, ethyl ester
- IUPAC
- ethyl 2-anilino-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
- English name
- ethyl 2-anilino-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate
- Molecular formula
- C14H17F3N2O4
- Molecular weight
- 334.29
Names & synonyms
SKNOMWTZPMUKNL-UHFFFAOYSA-NSTK786797AKOS005622012CCG-233142NCGC00317014-01AB01313137-01ethyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(phenylamino)alaninate(S)-ethyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-(phenylamino)propanoatePropanoic acid, 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-(phenylamino)-, ethyl esterethyl 2-anilino-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoateAlanine, 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-N-phenyl-, ethyl ester
Database identifiers
- CAS
254900-56-6- PubChem CID
- 2802317
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 429.4 · 429.4±45.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 9.03 · 9.03±0.46(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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