2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine

C9H10F3NO2S — CID 63203657

IUPAC2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine
SMILESNCCc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)16(14,15)8-3-1-7(2-4-8)5-6-13/h1-4H,5-6,13H2
InChIKeySTUODDLORWSEAJ-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine

2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine (PubChem CID 63203657) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine
PubChem CID63203657
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine
SMILESNCCc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)16(14,15)8-3-1-7(2-4-8)5-6-13/h1-4H,5-6,13H2
InChIKeySTUODDLORWSEAJ-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)benzenesulfonyl fluoride
CID 1701
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
2-[4-(trifluoromethylsulfonyl)phenyl]acetonitrile
CID 63203653
1-[4-(trifluoromethylsulfonyl)phenyl]propan-2-one
CID 63199172
4-(trifluoromethylsulfonyl)phenol
CID 14857426
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide
CID 110839455
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone
CID 63355492
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421
2-(4-prop-2-ynylsulfonylphenyl)ethanamine;hydrochloride
CID 19748052

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine (CID 63203657) is 2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine is NCCc1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine?
The InChIKey is STUODDLORWSEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c10-9(11,12)16(14,15)8-3-1-7(2-4-8)5-6-13/h1-4H,5-6,13H2.
What are the key properties of 2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine?
2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine has a molecular weight of 253.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine is sourced from PubChem (CID 63203657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).