2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine

C9H16F3NO2S — CID 105014137

IUPAC2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine
SMILESCS(=O)(=O)C1CCCC(C(N)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-16(14,15)7-4-2-3-6(5-7)8(13)9(10,11)12/h6-8H,2-5,13H2,1H3
InChIKeyYQMFICYNHNQVFF-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.48
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine

2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine (PubChem CID 105014137) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine
PubChem CID105014137
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine
SMILESCS(=O)(=O)C1CCCC(C(N)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-16(14,15)7-4-2-3-6(5-7)8(13)9(10,11)12/h6-8H,2-5,13H2,1H3
InChIKeyYQMFICYNHNQVFF-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine (CID 105014137) is 2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine is CS(=O)(=O)C1CCCC(C(N)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine?
The InChIKey is YQMFICYNHNQVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-16(14,15)7-4-2-3-6(5-7)8(13)9(10,11)12/h6-8H,2-5,13H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine?
2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine has a molecular weight of 259.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanamine is sourced from PubChem (CID 105014137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).