1-ethylsulfonyl-3-fluorocyclohexane

C8H15FO2S — CID 66796442

IUPAC1-ethylsulfonyl-3-fluorocyclohexane
SMILESCCS(=O)(=O)C1CCCC(F)C1
InChIInChI=1S/C8H15FO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h7-8H,2-6H2,1H3
InChIKeyBLHHPXUWAOSELL-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.70
Rot. Bonds2

About 1-ethylsulfonyl-3-fluorocyclohexane

1-ethylsulfonyl-3-fluorocyclohexane (PubChem CID 66796442) has the molecular formula C8H15FO2S and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-fluorocyclohexane.

Molecular Properties

Compound Name1-ethylsulfonyl-3-fluorocyclohexane
PubChem CID66796442
Molecular FormulaC8H15FO2S
Molecular Weight194.27 g/mol
Exact Mass194.08
IUPAC Name1-ethylsulfonyl-3-fluorocyclohexane
SMILESCCS(=O)(=O)C1CCCC(F)C1
InChIInChI=1S/C8H15FO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h7-8H,2-6H2,1H3
InChIKeyBLHHPXUWAOSELL-UHFFFAOYSA-N
XLogP1.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methylsulfonylcyclohexane
CID 13494867
[(1R,2R)-2-fluorocyclopropyl]sulfonylcyclohexane
CID 164680119
Trifluoromethylsulfonylcyclohexane
CID 12598645
trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane
CID 15122106
1-Fluoro-4-(4-fluorocyclohexyl)sulfonylcyclohexane
CID 44228562
1-(4-Fluorobutylsulfonyl)nonane
CID 57210591
1,1,1,2,2-Pentafluoro-5-(3,3,3-trifluoropropylsulfonyl)hexane
CID 57425674
2-(1,1-Difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane
CID 58225678
1,1-Difluoroethylsulfonylcyclohexane
CID 58225694
1-Fluoro-2-(2-fluorocyclohexyl)sulfonylcyclohexane
CID 66796028
1-Fluoro-2-methylsulfonylcyclohexane
CID 66796097
1-Ethylsulfinyl-2-fluorocyclohexane
CID 66796157

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-fluorocyclohexane?
The IUPAC name of 1-ethylsulfonyl-3-fluorocyclohexane (CID 66796442) is 1-ethylsulfonyl-3-fluorocyclohexane.
What is the SMILES notation for 1-ethylsulfonyl-3-fluorocyclohexane?
The canonical SMILES for 1-ethylsulfonyl-3-fluorocyclohexane is CCS(=O)(=O)C1CCCC(F)C1.
What is the InChIKey of 1-ethylsulfonyl-3-fluorocyclohexane?
The InChIKey is BLHHPXUWAOSELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-fluorocyclohexane?
1-ethylsulfonyl-3-fluorocyclohexane has a molecular weight of 194.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-fluorocyclohexane is sourced from PubChem (CID 66796442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).