1-fluoro-2-methylsulfonylcyclohexane

C7H13FO2S — CID 66796097

IUPAC1-fluoro-2-methylsulfonylcyclohexane
SMILESCS(=O)(=O)C1CCCCC1F
InChIInChI=1S/C7H13FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3
InChIKeyHDQKLNKNEMASTK-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.31
Rot. Bonds1

About 1-fluoro-2-methylsulfonylcyclohexane

1-fluoro-2-methylsulfonylcyclohexane (PubChem CID 66796097) has the molecular formula C7H13FO2S and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-fluoro-2-methylsulfonylcyclohexane.

Molecular Properties

Compound Name1-fluoro-2-methylsulfonylcyclohexane
PubChem CID66796097
Molecular FormulaC7H13FO2S
Molecular Weight180.24 g/mol
Exact Mass180.06
IUPAC Name1-fluoro-2-methylsulfonylcyclohexane
SMILESCS(=O)(=O)C1CCCCC1F
InChIInChI=1S/C7H13FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3
InChIKeyHDQKLNKNEMASTK-UHFFFAOYSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylsulfonylcyclohexane?
The IUPAC name of 1-fluoro-2-methylsulfonylcyclohexane (CID 66796097) is 1-fluoro-2-methylsulfonylcyclohexane.
What is the SMILES notation for 1-fluoro-2-methylsulfonylcyclohexane?
The canonical SMILES for 1-fluoro-2-methylsulfonylcyclohexane is CS(=O)(=O)C1CCCCC1F.
What is the InChIKey of 1-fluoro-2-methylsulfonylcyclohexane?
The InChIKey is HDQKLNKNEMASTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3.
What are the key properties of 1-fluoro-2-methylsulfonylcyclohexane?
1-fluoro-2-methylsulfonylcyclohexane has a molecular weight of 180.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylsulfonylcyclohexane is sourced from PubChem (CID 66796097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).