4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one

C14H19FO2S — CID 59068750

IUPAC4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one
SMILESCCC(CCS(=O)c1ccc(F)cc1)CC(C)=O
InChIInChI=1S/C14H19FO2S/c1-3-12(10-11(2)16)8-9-18(17)14-6-4-13(15)5-7-14/h4-7,12H,3,8-10H2,1-2H3
InChIKeyIQTKZJRJSRBXJH-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.33
Rot. Bonds7

About 4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one

4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one (PubChem CID 59068750) has the molecular formula C14H19FO2S and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one.

Molecular Properties

Compound Name4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one
PubChem CID59068750
Molecular FormulaC14H19FO2S
Molecular Weight270.37 g/mol
Exact Mass270.11
IUPAC Name4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one
SMILESCCC(CCS(=O)c1ccc(F)cc1)CC(C)=O
InChIInChI=1S/C14H19FO2S/c1-3-12(10-11(2)16)8-9-18(17)14-6-4-13(15)5-7-14/h4-7,12H,3,8-10H2,1-2H3
InChIKeyIQTKZJRJSRBXJH-UHFFFAOYSA-N
XLogP3.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one?
The IUPAC name of 4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one (CID 59068750) is 4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one.
What is the SMILES notation for 4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one?
The canonical SMILES for 4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one is CCC(CCS(=O)c1ccc(F)cc1)CC(C)=O.
What is the InChIKey of 4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one?
The InChIKey is IQTKZJRJSRBXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2S/c1-3-12(10-11(2)16)8-9-18(17)14-6-4-13(15)5-7-14/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of 4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one?
4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one has a molecular weight of 270.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(4-fluorophenyl)sulfinylhexan-2-one is sourced from PubChem (CID 59068750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).