1-ethylsulfinyl-4-fluorocyclohexane

C8H15FOS — CID 66796229

IUPAC1-ethylsulfinyl-4-fluorocyclohexane
SMILESCCS(=O)C1CCC(F)CC1
InChIInChI=1S/C8H15FOS/c1-2-11(10)8-5-3-7(9)4-6-8/h7-8H,2-6H2,1H3
InChIKeyJYUXHKMJRFTZEW-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.04
Rot. Bonds2

About 1-ethylsulfinyl-4-fluorocyclohexane

1-ethylsulfinyl-4-fluorocyclohexane (PubChem CID 66796229) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-ethylsulfinyl-4-fluorocyclohexane.

Molecular Properties

Compound Name1-ethylsulfinyl-4-fluorocyclohexane
PubChem CID66796229
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name1-ethylsulfinyl-4-fluorocyclohexane
SMILESCCS(=O)C1CCC(F)CC1
InChIInChI=1S/C8H15FOS/c1-2-11(10)8-5-3-7(9)4-6-8/h7-8H,2-6H2,1H3
InChIKeyJYUXHKMJRFTZEW-UHFFFAOYSA-N
XLogP2.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-4-fluorocyclohexane?
The IUPAC name of 1-ethylsulfinyl-4-fluorocyclohexane (CID 66796229) is 1-ethylsulfinyl-4-fluorocyclohexane.
What is the SMILES notation for 1-ethylsulfinyl-4-fluorocyclohexane?
The canonical SMILES for 1-ethylsulfinyl-4-fluorocyclohexane is CCS(=O)C1CCC(F)CC1.
What is the InChIKey of 1-ethylsulfinyl-4-fluorocyclohexane?
The InChIKey is JYUXHKMJRFTZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FOS/c1-2-11(10)8-5-3-7(9)4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethylsulfinyl-4-fluorocyclohexane?
1-ethylsulfinyl-4-fluorocyclohexane has a molecular weight of 178.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-4-fluorocyclohexane is sourced from PubChem (CID 66796229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).