2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone

C15H19FOS — CID 66071426

IUPAC2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)CSc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FOS/c1-11-5-7-12(8-6-11)15(17)10-18-14-4-2-3-13(16)9-14/h2-4,9,11-12H,5-8,10H2,1H3
InChIKeyFUEBNRHBYMAENZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.31
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone

2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone (PubChem CID 66071426) has the molecular formula C15H19FOS and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone
PubChem CID66071426
Molecular FormulaC15H19FOS
Molecular Weight266.38 g/mol
Exact Mass266.11
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone
SMILESCC1CCC(C(=O)CSc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FOS/c1-11-5-7-12(8-6-11)15(17)10-18-14-4-2-3-13(16)9-14/h2-4,9,11-12H,5-8,10H2,1H3
InChIKeyFUEBNRHBYMAENZ-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66072466
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2-(3-fluorophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79731702
N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide
CID 66070262
1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66070184
2-(3-methylphenyl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 66087155
1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
CID 143126796
ethyl 2-[2-(3-fluorophenyl)sulfanylacetyl]pentanoate
CID 83050090
1-(4-fluoro-3-methylphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072671

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone (CID 66071426) is 2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone is CC1CCC(C(=O)CSc2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone?
The InChIKey is FUEBNRHBYMAENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FOS/c1-11-5-7-12(8-6-11)15(17)10-18-14-4-2-3-13(16)9-14/h2-4,9,11-12H,5-8,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone?
2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone has a molecular weight of 266.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone is sourced from PubChem (CID 66071426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).