Propanamide, N-(2-bromo-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)-

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Basic information

CAS: 105923-30-6
Standard SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1Br)C(F)(C(F)(F)F)C(F)(F)F
InChIKey: CPOGGUYXOJBWHC-UHFFFAOYSA-N
Molecular formula: C10H4BrF7N2O3
Average molar mass: 413.04 g/mol
Monoisotopic mass: 411.92935

Names & identifiers

Preferred name: Propanamide, N-(2-bromo-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)-
IUPAC: N-(2-bromo-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide

Names & synonyms

N-(2-Bromo-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamidePropanamide, N-(2-bromo-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)-105923-30-6DTXSID7073771RefChem:374196DTXCID7032979SCHEMBL98701492'-Bromo-4'-nitro-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propionanilide

Database identifiers

CAS: 105923-30-6
PubChem CID: 163755
DTXSID: DTXSID7073771

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 463

Related reactions

6 records

New reaction record

HRID 814314As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 981835As productuspto-grants-1991_02

HRID 1088554As reactantuspto-grants-1990_10

HRID 1136514As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1761394As productuspto-grants-1989_05

HRID 1761395As reactantuspto-grants-1989_05

Compound notes

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