2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine

C12H24FNO2S — CID 112566835

IUPAC2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine
SMILESCC(C)C(F)(CN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H24FNO2S/c1-9(2)12(13,8-14)10-5-4-6-11(7-10)17(3,15)16/h9-11H,4-8,14H2,1-3H3
InChIKeyOFDBTNOGDNWFFA-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.91
Rot. Bonds4

About 2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine

2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine (PubChem CID 112566835) has the molecular formula C12H24FNO2S and a molecular weight of 265.39 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine
PubChem CID112566835
Molecular FormulaC12H24FNO2S
Molecular Weight265.39 g/mol
Exact Mass265.15
IUPAC Name2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine
SMILESCC(C)C(F)(CN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H24FNO2S/c1-9(2)12(13,8-14)10-5-4-6-11(7-10)17(3,15)16/h9-11H,4-8,14H2,1-3H3
InChIKeyOFDBTNOGDNWFFA-UHFFFAOYSA-N
XLogP1.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine (CID 112566835) is 2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine is CC(C)C(F)(CN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine?
The InChIKey is OFDBTNOGDNWFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2S/c1-9(2)12(13,8-14)10-5-4-6-11(7-10)17(3,15)16/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine?
2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine has a molecular weight of 265.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-(3-methylsulfonylcyclohexyl)butan-1-amine is sourced from PubChem (CID 112566835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).