4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline

C10H11F4NO2S — CID 61230337

IUPAC4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
SMILESCS(=O)(=O)CCNc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F4NO2S/c1-18(16,17)5-4-15-7-2-3-9(11)8(6-7)10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyHCABUKCQYLLMHZ-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.30
Rot. Bonds4

About 4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline

4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline (PubChem CID 61230337) has the molecular formula C10H11F4NO2S and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
PubChem CID61230337
Molecular FormulaC10H11F4NO2S
Molecular Weight285.26 g/mol
Exact Mass285.04
IUPAC Name4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
SMILESCS(=O)(=O)CCNc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F4NO2S/c1-18(16,17)5-4-15-7-2-3-9(11)8(6-7)10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyHCABUKCQYLLMHZ-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
CID 60721760
N-(3-ethylsulfonylpropyl)-4-fluoro-3-(trifluoromethyl)aniline
CID 65093044
3-[4-fluoro-3-(trifluoromethyl)anilino]propanoic acid
CID 61228436
2-[4-fluoro-3-(trifluoromethyl)anilino]acetonitrile
CID 61229789
4-fluoro-N-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)aniline
CID 102975771
N-(3-methylsulfonylpropyl)-4-nitro-3-(trifluoromethyl)aniline
CID 61038223
4-[4-fluoro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63891626
N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939476
4-fluoro-N-pent-4-ynyl-3-(trifluoromethyl)aniline
CID 113343829
4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline
CID 63453849
[4-fluoro-3-(trifluoromethyl)anilino]azanium chloride
CID 2774811
2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 61229010

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline (CID 61230337) is 4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline is CS(=O)(=O)CCNc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline?
The InChIKey is HCABUKCQYLLMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO2S/c1-18(16,17)5-4-15-7-2-3-9(11)8(6-7)10(12,13)14/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline?
4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline has a molecular weight of 285.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 61230337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).