1-ethylsulfonyl-2-fluorocyclohexane

C8H15FO2S — CID 66796677

IUPAC1-ethylsulfonyl-2-fluorocyclohexane
SMILESCCS(=O)(=O)C1CCCCC1F
InChIInChI=1S/C8H15FO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyMMGXIOPWKCNIPL-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.70
Rot. Bonds2

About 1-ethylsulfonyl-2-fluorocyclohexane

1-ethylsulfonyl-2-fluorocyclohexane (PubChem CID 66796677) has the molecular formula C8H15FO2S and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-fluorocyclohexane.

Molecular Properties

Compound Name1-ethylsulfonyl-2-fluorocyclohexane
PubChem CID66796677
Molecular FormulaC8H15FO2S
Molecular Weight194.27 g/mol
Exact Mass194.08
IUPAC Name1-ethylsulfonyl-2-fluorocyclohexane
SMILESCCS(=O)(=O)C1CCCCC1F
InChIInChI=1S/C8H15FO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyMMGXIOPWKCNIPL-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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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-fluorocyclohexane?
The IUPAC name of 1-ethylsulfonyl-2-fluorocyclohexane (CID 66796677) is 1-ethylsulfonyl-2-fluorocyclohexane.
What is the SMILES notation for 1-ethylsulfonyl-2-fluorocyclohexane?
The canonical SMILES for 1-ethylsulfonyl-2-fluorocyclohexane is CCS(=O)(=O)C1CCCCC1F.
What is the InChIKey of 1-ethylsulfonyl-2-fluorocyclohexane?
The InChIKey is MMGXIOPWKCNIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethylsulfonyl-2-fluorocyclohexane?
1-ethylsulfonyl-2-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-2-fluorocyclohexane is sourced from PubChem (CID 66796677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).