2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine

C10H20FNO2S — CID 112565115

IUPAC2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine
SMILESCC(F)(CN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C10H20FNO2S/c1-10(11,7-12)8-4-3-5-9(6-8)15(2,13)14/h8-9H,3-7,12H2,1-2H3
InChIKeyHHYQAZFUYRHMRE-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.28
Rot. Bonds3

About 2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine

2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine (PubChem CID 112565115) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine
PubChem CID112565115
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine
SMILESCC(F)(CN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C10H20FNO2S/c1-10(11,7-12)8-4-3-5-9(6-8)15(2,13)14/h8-9H,3-7,12H2,1-2H3
InChIKeyHHYQAZFUYRHMRE-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.28
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)propan-1-amine?
The IUPAC name of 2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine (CID 112565115) is 2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine is CC(F)(CN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine?
The InChIKey is HHYQAZFUYRHMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-10(11,7-12)8-4-3-5-9(6-8)15(2,13)14/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine?
2-fluoro-2-(3-methylsulfonylcyclohexyl)propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 1.28, 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)propan-1-amine is sourced from PubChem (CID 112565115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).