N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide

C9H6F4N2O3 — CID 10445595

IUPACN-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C9H6F4N2O3/c1-4(16)14-6-3-2-5(10)7(9(11,12)13)8(6)15(17)18/h2-3H,1H3,(H,14,16)
InChIKeyWOAGFTKEJAWGNC-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.71
Rot. Bonds2

About N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide

N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 10445595) has the molecular formula C9H6F4N2O3 and a molecular weight of 266.15 g/mol. Its IUPAC name is N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID10445595
Molecular FormulaC9H6F4N2O3
Molecular Weight266.15 g/mol
Exact Mass266.03
IUPAC NameN-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C9H6F4N2O3/c1-4(16)14-6-3-2-5(10)7(9(11,12)13)8(6)15(17)18/h2-3H,1H3,(H,14,16)
InChIKeyWOAGFTKEJAWGNC-UHFFFAOYSA-N
XLogP2.71
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.71
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

1,4-difluoro-2-nitro-3-(trifluoromethyl)benzene
CID 164597128
1-fluoro-4-iodo-3-nitro-2-(trifluoromethyl)benzene
CID 171013038
(4-fluoro-2-methyl-3-nitrophenyl)carbamic acid
CID 174969971
N-(8-acetamido-4,5-dinitro-9,10-dioxoanthracen-1-yl)acetamide
CID 5485377
1-(3,6-difluoro-2-nitrophenyl)ethanone
CID 130953642
3-acetamido-2-nitrobenzoate
CID 7154741
N-[6-nitro-3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]acetamide
CID 165113925
N-(3-acetamido-5-fluoro-2,4,6-trinitrophenyl)acetamide
CID 12577939
N-(4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetamide
CID 25140754
N-[2,4-dichloro-3-(trifluoromethyl)phenyl]acetamide
CID 67828425
3-acetamido-2-nitrobenzamide
CID 142159478
N-(3-methyl-4-nitrobenzotriazol-5-yl)acetamide
CID 130407491

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide (CID 10445595) is N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(F)c(C(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WOAGFTKEJAWGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2O3/c1-4(16)14-6-3-2-5(10)7(9(11,12)13)8(6)15(17)18/h2-3H,1H3,(H,14,16).
What are the key properties of N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide?
N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 266.15 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-nitro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 10445595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).