1-ethylsulfinyl-2-fluorocyclohexane

C8H15FOS — CID 66796157

IUPAC1-ethylsulfinyl-2-fluorocyclohexane
SMILESCCS(=O)C1CCCCC1F
InChIInChI=1S/C8H15FOS/c1-2-11(10)8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyOWGURUBHILIDJK-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.04
Rot. Bonds2

About 1-ethylsulfinyl-2-fluorocyclohexane

1-ethylsulfinyl-2-fluorocyclohexane (PubChem CID 66796157) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-ethylsulfinyl-2-fluorocyclohexane.

Molecular Properties

Compound Name1-ethylsulfinyl-2-fluorocyclohexane
PubChem CID66796157
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name1-ethylsulfinyl-2-fluorocyclohexane
SMILESCCS(=O)C1CCCCC1F
InChIInChI=1S/C8H15FOS/c1-2-11(10)8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyOWGURUBHILIDJK-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-2-fluorocyclohexane?
The IUPAC name of 1-ethylsulfinyl-2-fluorocyclohexane (CID 66796157) is 1-ethylsulfinyl-2-fluorocyclohexane.
What is the SMILES notation for 1-ethylsulfinyl-2-fluorocyclohexane?
The canonical SMILES for 1-ethylsulfinyl-2-fluorocyclohexane is CCS(=O)C1CCCCC1F.
What is the InChIKey of 1-ethylsulfinyl-2-fluorocyclohexane?
The InChIKey is OWGURUBHILIDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FOS/c1-2-11(10)8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethylsulfinyl-2-fluorocyclohexane?
1-ethylsulfinyl-2-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-2-fluorocyclohexane is sourced from PubChem (CID 66796157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).