2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine

C9H18FNO2S — CID 112562650

IUPAC2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine
SMILESCS(=O)(=O)C1CCCC(C(F)CN)C1
InChIInChI=1S/C9H18FNO2S/c1-14(12,13)8-4-2-3-7(5-8)9(10)6-11/h7-9H,2-6,11H2,1H3
InChIKeyNNCYETDRVMLJRK-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.89
Rot. Bonds3

About 2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine

2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine (PubChem CID 112562650) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine
PubChem CID112562650
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine
SMILESCS(=O)(=O)C1CCCC(C(F)CN)C1
InChIInChI=1S/C9H18FNO2S/c1-14(12,13)8-4-2-3-7(5-8)9(10)6-11/h7-9H,2-6,11H2,1H3
InChIKeyNNCYETDRVMLJRK-UHFFFAOYSA-N
XLogP0.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine?
The IUPAC name of 2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine (CID 112562650) is 2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine?
The canonical SMILES for 2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine is CS(=O)(=O)C1CCCC(C(F)CN)C1.
What is the InChIKey of 2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine?
The InChIKey is NNCYETDRVMLJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-14(12,13)8-4-2-3-7(5-8)9(10)6-11/h7-9H,2-6,11H2,1H3.
What are the key properties of 2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine?
2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine has a molecular weight of 223.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methylsulfonylcyclohexyl)ethanamine is sourced from PubChem (CID 112562650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).