2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine

C8H9F3N2O2S — CID 68653161

IUPAC2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine
SMILESCS(=O)(=O)c1ccc(C(N)C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O2S/c1-16(14,15)6-3-2-5(4-13-6)7(12)8(9,10)11/h2-4,7H,12H2,1H3
InChIKeyXNLFTVUEDUPLIP-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.05
Rot. Bonds2

About 2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine

2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine (PubChem CID 68653161) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine
PubChem CID68653161
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine
SMILESCS(=O)(=O)c1ccc(C(N)C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O2S/c1-16(14,15)6-3-2-5(4-13-6)7(12)8(9,10)11/h2-4,7H,12H2,1H3
InChIKeyXNLFTVUEDUPLIP-UHFFFAOYSA-N
XLogP1.05
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine (CID 68653161) is 2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine is CS(=O)(=O)c1ccc(C(N)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine?
The InChIKey is XNLFTVUEDUPLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-16(14,15)6-3-2-5(4-13-6)7(12)8(9,10)11/h2-4,7H,12H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine?
2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine has a molecular weight of 254.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 68653161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).