2,2,2-trifluoro-N-(4-nitrophenyl)acetamide

C8H5F3N2O3 — CID 616367

IUPAC2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C8H5F3N2O3/c9-8(10,11)7(14)12-5-1-3-6(4-2-5)13(15)16/h1-4H,(H,12,14)
InChIKeyBLMWCZBKCOBVAM-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.10
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide

2,2,2-trifluoro-N-(4-nitrophenyl)acetamide (PubChem CID 616367) has the molecular formula C8H5F3N2O3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
PubChem CID616367
Molecular FormulaC8H5F3N2O3
Molecular Weight234.13 g/mol
Exact Mass234.03
IUPAC Name2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C8H5F3N2O3/c9-8(10,11)7(14)12-5-1-3-6(4-2-5)13(15)16/h1-4H,(H,12,14)
InChIKeyBLMWCZBKCOBVAM-UHFFFAOYSA-N
XLogP2.10
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.10
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

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
4-nitro-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4194720
4-nitro-N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 6974910
2,2,2-trifluoro-N-[4-[C-methyl-N-[[2-(4-nitrophenyl)acetyl]amino]carbonimidoyl]phenyl]acetamide
CID 3429215
2,2,2-trifluoro-N-[4-[(E)-C-methyl-N-[[2-(4-nitrophenyl)acetyl]amino]carbonimidoyl]phenyl]acetamide
CID 7114942
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
CID 113307498
2,2,2-trifluoro-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 5130084
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
2,2,2-trifluoro-N-[3-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 46677879
1-cyano-N-(4-nitrophenyl)formamide
CID 10607728

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide (CID 616367) is 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide?
The InChIKey is BLMWCZBKCOBVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O3/c9-8(10,11)7(14)12-5-1-3-6(4-2-5)13(15)16/h1-4H,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide?
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide has a molecular weight of 234.13 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 616367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).