2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide

C11H12F4N2O3S — CID 62867932

IUPAC2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H12F4N2O3S/c1-17(2)10(18)6-16-8-4-3-7(12)5-9(8)21(19,20)11(13,14)15/h3-5,16H,6H2,1-2H3
InChIKeyQNHXICIUNCJDPZ-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.62
Rot. Bonds4

About 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide

2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide (PubChem CID 62867932) has the molecular formula C11H12F4N2O3S and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide
PubChem CID62867932
Molecular FormulaC11H12F4N2O3S
Molecular Weight328.29 g/mol
Exact Mass328.05
IUPAC Name2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H12F4N2O3S/c1-17(2)10(18)6-16-8-4-3-7(12)5-9(8)21(19,20)11(13,14)15/h3-5,16H,6H2,1-2H3
InChIKeyQNHXICIUNCJDPZ-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]acetate
CID 62892305
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide
CID 133284643
N-(2,2-dimethylbutyl)-4-fluoro-2-(trifluoromethylsulfonyl)aniline
CID 103462427
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol
CID 55129525
3-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
CID 62868100
2-[2-(4-fluorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851233
4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
CID 62866721
N-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]propane-1,3-diamine
CID 62893183
N,N-dimethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815758
1-[4-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]piperazin-1-yl]ethanone
CID 133283161
N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304310
4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-2-(trifluoromethylsulfonyl)aniline
CID 133284902

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide (CID 62867932) is 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide?
The InChIKey is QNHXICIUNCJDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O3S/c1-17(2)10(18)6-16-8-4-3-7(12)5-9(8)21(19,20)11(13,14)15/h3-5,16H,6H2,1-2H3.
What are the key properties of 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide?
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide has a molecular weight of 328.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 62867932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).