4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline

C10H9F6NO2S — CID 63226683

IUPAC4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline
SMILESO=S(=O)(c1ccc(NCCC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C10H9F6NO2S/c11-9(12,13)5-6-17-7-1-3-8(4-2-7)20(18,19)10(14,15)16/h1-4,17H,5-6H2
InChIKeyQUVQRZUXXSMCND-UHFFFAOYSA-N
MW321.24 g/mol
LogP3.34
Rot. Bonds4

About 4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline

4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 63226683) has the molecular formula C10H9F6NO2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline
PubChem CID63226683
Molecular FormulaC10H9F6NO2S
Molecular Weight321.24 g/mol
Exact Mass321.03
IUPAC Name4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline
SMILESO=S(=O)(c1ccc(NCCC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C10H9F6NO2S/c11-9(12,13)5-6-17-7-1-3-8(4-2-7)20(18,19)10(14,15)16/h1-4,17H,5-6H2
InChIKeyQUVQRZUXXSMCND-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
N-(2-cyclopentylethyl)-4-(trifluoromethylsulfonyl)aniline
CID 63536611
3-[4-(trifluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66175657
5-[4-(trifluoromethylsulfonyl)anilino]pentanenitrile
CID 133299884
2-methyl-1-[4-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 62662886
N-(2-methyl-2-methylsulfanylpropyl)-4-(trifluoromethylsulfonyl)aniline
CID 115663481
methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate
CID 43427641
2-ethyl-1-N-[4-(trifluoromethylsulfonyl)phenyl]butane-1,2-diamine
CID 115306206
4-fluoro-N-(3,3,3-trifluoropropyl)aniline
CID 57038239
N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethylsulfonyl)aniline
CID 115698632
1,3-bis[4-(trifluoromethylsulfonyl)phenyl]urea
CID 19433219
N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 43427557

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline (CID 63226683) is 4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline is O=S(=O)(c1ccc(NCCC(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is QUVQRZUXXSMCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO2S/c11-9(12,13)5-6-17-7-1-3-8(4-2-7)20(18,19)10(14,15)16/h1-4,17H,5-6H2.
What are the key properties of 4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline?
4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 321.24 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 63226683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).