2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide

C9H4F6N2O3 — CID 18543314

IUPAC2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H4F6N2O3/c10-8(11,12)5-3-4(17(19)20)1-2-6(5)16-7(18)9(13,14)15/h1-3H,(H,16,18)
InChIKeyKENBHIHOIKVFCI-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.11
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide

2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 18543314) has the molecular formula C9H4F6N2O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID18543314
Molecular FormulaC9H4F6N2O3
Molecular Weight302.13 g/mol
Exact Mass302.01
IUPAC Name2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H4F6N2O3/c10-8(11,12)5-3-4(17(19)20)1-2-6(5)16-7(18)9(13,14)15/h1-3H,(H,16,18)
InChIKeyKENBHIHOIKVFCI-UHFFFAOYSA-N
XLogP3.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.11
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

(2R)-2-chloro-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 7063301
2-bromo-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 114014303
2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
CID 141401924
2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 83342973
2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 54935573
2-[4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 2914060
2-[4-nitro-2-(trifluoromethyl)anilino]propanamide
CID 54935716
1-(3,5-dimethylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea
CID 19687540
[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] propanoate
CID 7851443
N-[4-nitro-2-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide
CID 7821087
dimethyl (E)-2-[4-nitro-2-(trifluoromethyl)anilino]but-2-enedioate
CID 168565889
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide (CID 18543314) is 2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KENBHIHOIKVFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2O3/c10-8(11,12)5-3-4(17(19)20)1-2-6(5)16-7(18)9(13,14)15/h1-3H,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 302.13 g/mol, XLogP of 3.11, 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-nitro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18543314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).