2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide

C9H6F4N2O3 — CID 91316298

IUPAC2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)Cc1c([N+](=O)[O-])cc(F)cc1C(F)(F)F
InChIInChI=1S/C9H6F4N2O3/c10-4-1-6(9(11,12)13)5(3-8(14)16)7(2-4)15(17)18/h1-2H,3H2,(H2,14,16)
InChIKeySCRFOODOXNRQQG-UHFFFAOYSA-N
MW266.15 g/mol
LogP1.78
Rot. Bonds3

About 2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide

2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide (PubChem CID 91316298) has the molecular formula C9H6F4N2O3 and a molecular weight of 266.15 g/mol. Its IUPAC name is 2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide
PubChem CID91316298
Molecular FormulaC9H6F4N2O3
Molecular Weight266.15 g/mol
Exact Mass266.03
IUPAC Name2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)Cc1c([N+](=O)[O-])cc(F)cc1C(F)(F)F
InChIInChI=1S/C9H6F4N2O3/c10-4-1-6(9(11,12)13)5(3-8(14)16)7(2-4)15(17)18/h1-2H,3H2,(H2,14,16)
InChIKeySCRFOODOXNRQQG-UHFFFAOYSA-N
XLogP1.78
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 51.78
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

4-fluoro-2-nitro-6-(trifluoromethyl)phenol
CID 69400502
2-[4-bromo-2-nitro-6-(trifluoromethyl)phenoxy]acetamide
CID 167867603
2-(4-fluoro-2-formyl-6-nitrophenyl)acetic acid
CID 171015626
2-[2-(bromomethyl)-5-fluoro-3-nitrophenyl]acetic acid
CID 171011427
2-bromo-5-nitro-4-(trifluoromethyl)benzamide
CID 171003210
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 118831634
[4-fluoro-5-nitro-2-(trifluoromethyl)phenyl]methanamine
CID 171015761
3-[4-nitro-3-(trifluoromethyl)anilino]propanamide
CID 43553692
[4-methoxy-2-nitro-6-(trifluoromethyl)phenyl]methanamine
CID 171019086
(2-chloro-4-fluoro-6-nitrophenyl)methanamine
CID 171016253
[4-methyl-2-nitro-5-(trifluoromethyl)phenyl]methanol
CID 131328443
[4-bromo-2-nitro-5-(trifluoromethyl)phenyl]methanamine
CID 171011832

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide (CID 91316298) is 2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide is NC(=O)Cc1c([N+](=O)[O-])cc(F)cc1C(F)(F)F.
What is the InChIKey of 2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SCRFOODOXNRQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2O3/c10-4-1-6(9(11,12)13)5(3-8(14)16)7(2-4)15(17)18/h1-2H,3H2,(H2,14,16).
What are the key properties of 2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide?
2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide has a molecular weight of 266.15 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91316298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).