1-fluoro-3-methylsulfinylcyclohexane

C7H13FOS — CID 66796146

IUPAC1-fluoro-3-methylsulfinylcyclohexane
SMILESCS(=O)C1CCCC(F)C1
InChIInChI=1S/C7H13FOS/c1-10(9)7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3
InChIKeyZEBRVYOWLHHMGJ-UHFFFAOYSA-N
MW164.24 g/mol
LogP1.65
Rot. Bonds1

About 1-fluoro-3-methylsulfinylcyclohexane

1-fluoro-3-methylsulfinylcyclohexane (PubChem CID 66796146) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is 1-fluoro-3-methylsulfinylcyclohexane.

Molecular Properties

Compound Name1-fluoro-3-methylsulfinylcyclohexane
PubChem CID66796146
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name1-fluoro-3-methylsulfinylcyclohexane
SMILESCS(=O)C1CCCC(F)C1
InChIInChI=1S/C7H13FOS/c1-10(9)7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3
InChIKeyZEBRVYOWLHHMGJ-UHFFFAOYSA-N
XLogP1.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylsulfinylcyclohexane?
The IUPAC name of 1-fluoro-3-methylsulfinylcyclohexane (CID 66796146) is 1-fluoro-3-methylsulfinylcyclohexane.
What is the SMILES notation for 1-fluoro-3-methylsulfinylcyclohexane?
The canonical SMILES for 1-fluoro-3-methylsulfinylcyclohexane is CS(=O)C1CCCC(F)C1.
What is the InChIKey of 1-fluoro-3-methylsulfinylcyclohexane?
The InChIKey is ZEBRVYOWLHHMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FOS/c1-10(9)7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3.
What are the key properties of 1-fluoro-3-methylsulfinylcyclohexane?
1-fluoro-3-methylsulfinylcyclohexane has a molecular weight of 164.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylsulfinylcyclohexane is sourced from PubChem (CID 66796146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).