Basic information
- CAS
74696-73-4- Standard SMILES
CCC(=O)Nc1ccc(C(O)C(F)(F)F)cc1- InChIKey
NKBABNRRDTZGJV-UHFFFAOYSA-N- Molecular formula
- C11H12F3NO2
- Average molar mass
- 247.21 g/mol
- Monoisotopic mass
- 247.08201311
Names & identifiers
- Preferred name
- N-(4-(2,2,2-Trifluoro-1-hydroxyethyl)phenyl)propanamide
- IUPAC
- N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanamide
- English name
- N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propionamide
- Molecular formula
- C11H12F3NO2
- Molecular weight
- 247.21
Names & synonyms
74696-73-4N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanamideDTXSID20996219N-(4-(2,2,2-Trifluoro-1-hydroxyethyl)phenyl)propanamideRefChem:1091215DTXCID101423238N-[4-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)PHENYL]PROPIONAMIDEEINECS 277-969-3N-(4-(2,2,2-Trifluoro-1-hydroxyethyl)phenyl)propionamideN-(4-(1-Hydroxy-2,2,2-trifluoroethyl)phenyl)propanamide1-(4-Propionamido phenyl) 2,2,2-trifluoroethanol [French]Propanamide, N-(4-(1-hydroxy-2,2,2-trifluoroethyl)phenyl)-
Show more names
Propanamide, N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-
1-(4-Propionamido phenyl) 2,2,2-trifluoroethanolSCHEMBL11161353NS00059229
Database identifiers
- CAS
74696-73-4- PubChem CID
- 198565
- DTXSID
DTXSID20996219
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 400.8 · 400.8±45.0 °C(Predicted)
- Density
- 1.325 · 1.325±0.06 g/cm3(Predicted)
- pka
- 12.03 · 12.03±0.10(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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