1-Phenyl-3-(1-(2,2,2-trifluoroacetyl)pyrrolidin-3-YL)urea
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Basic information
- CAS
951623-94-2- Standard SMILES
O=C(Nc1ccccc1)NC1CCN(C(=O)C(F)(F)F)C1- InChIKey
RDAGWKMTQMCFRR-UHFFFAOYSA-N- Molecular formula
- C13H14F3N3O2
- Average molar mass
- 301.26 g/mol
- Monoisotopic mass
- 301.10381118
Names & identifiers
- Preferred name
- 1-Phenyl-3-(1-(2,2,2-trifluoroacetyl)pyrrolidin-3-YL)urea
- IUPAC
- 1-phenyl-3-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea
- English name
- 1-Phenyl-3-(1-(2,2,2-Trifluoroacetyl)Pyrrolidin-3-Yl)Urea
- Molecular formula
- C13H14F3N3O2
- Molecular weight
- 301.26
Names & synonyms
1-PHENYL-3-(1-(2,2,2-TRIFLUOROACETYL)PYRROLIDIN-3-YL)UREA951623-94-21-phenyl-3-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ureaMFCD09788592RDAGWKMTQMCFRR-UHFFFAOYSA-NAR2150AKOS027334872AS-45282CS-0173126F306183Urea, N-phenyl-N'-[1-(2,2,2-trifluoroacetyl)-3-pyrrolidinyl]-
Database identifiers
- CAS
951623-94-2- PubChem CID
- 45925941
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 435.3 · 435.3±45.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 11.62 · 11.62±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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