3,3,3-Trifluoro-N-(4-nitrophenyl)-2-(trifluoromethyl)propanamide

HCID 548646

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Basic information

CAS: 294651-51-7
Standard SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1)C(C(F)(F)F)C(F)(F)F
InChIKey: VBVHTKCOELSAED-UHFFFAOYSA-N
Molecular formula: C10H6F6N2O3
Average molar mass: 316.16 g/mol
Monoisotopic mass: 316.02826103

Names & identifiers

Preferred name: 3,3,3-Trifluoro-N-(4-nitrophenyl)-2-(trifluoromethyl)propanamide
IUPAC: 3,3,3-trifluoro-N-(4-nitrophenyl)-2-(trifluoromethyl)propanamide

Names & synonyms

294651-51-73,3,3-Trifluoro-N-(4-nitrophenyl)-2-(trifluoromethyl)propanamideDTXSID00338355RefChem:269995DTXCID10289440Propanamide, 3,3,3-trifluoro-N-(4-nitrophenyl)-2-(trifluoromethyl)-VBVHTKCOELSAED-UHFFFAOYSA-NSTK369840AKOS005445456ST51061412SR-01000200310SR-01000200310-1

Show more names

3,3,3-Trifluoro-N-(4-nitrophenyl)-2-(trifluoromethyl)propanamide #3,3,3-Trifluoro-N-(4-nitrophenyl)-2-(trifluoromethyl)propionamide

Database identifiers

CAS: 294651-51-7
PubChem CID: 548646
DTXSID: DTXSID00338355

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 381

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