N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide

C8H3F5N2O3 — CID 81313213

IUPACN-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C8H3F5N2O3/c9-3-1-4(10)6(5(2-3)15(17)18)14-7(16)8(11,12)13/h1-2H,(H,14,16)
InChIKeyDQEIAWVXFVUHGG-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.37
Rot. Bonds2

About N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide

N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide (PubChem CID 81313213) has the molecular formula C8H3F5N2O3 and a molecular weight of 270.11 g/mol. Its IUPAC name is N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
PubChem CID81313213
Molecular FormulaC8H3F5N2O3
Molecular Weight270.11 g/mol
Exact Mass270.01
IUPAC NameN-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])C(F)(F)F
InChIInChI=1S/C8H3F5N2O3/c9-3-1-4(10)6(5(2-3)15(17)18)14-7(16)8(11,12)13/h1-2H,(H,14,16)
InChIKeyDQEIAWVXFVUHGG-UHFFFAOYSA-N
XLogP2.37
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309738
3,5-dinitro-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 10019069
2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067
2-bromo-N-(2,4-difluoro-6-nitrophenyl)-3-methylbutanamide
CID 81309901
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81310187
N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide
CID 81310098
N-(2,2-dimethylpropyl)-2,4-difluoro-6-nitroaniline
CID 81310142
N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide
CID 81311489
2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide
CID 107962301

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide (CID 81313213) is N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide is O=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])C(F)(F)F.
What is the InChIKey of N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is DQEIAWVXFVUHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O3/c9-3-1-4(10)6(5(2-3)15(17)18)14-7(16)8(11,12)13/h1-2H,(H,14,16).
What are the key properties of N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide?
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 270.11 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 81313213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).