2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone

C15H19FOS — CID 65140079

IUPAC2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)CSC1CCCCC1
InChIInChI=1S/C15H19FOS/c1-11-7-8-12(16)9-14(11)15(17)10-18-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3
InChIKeyXVDLPTYFKZRPRM-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.38
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone

2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 65140079) has the molecular formula C15H19FOS and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone
PubChem CID65140079
Molecular FormulaC15H19FOS
Molecular Weight266.38 g/mol
Exact Mass266.11
IUPAC Name2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)CSC1CCCCC1
InChIInChI=1S/C15H19FOS/c1-11-7-8-12(16)9-14(11)15(17)10-18-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3
InChIKeyXVDLPTYFKZRPRM-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanone
CID 60645510
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
CID 55178865
2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 60643768
2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone
CID 65138695
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 103543669
1-[1-(5-fluoro-2-methylbenzoyl)azepan-2-yl]propan-2-one
CID 79541273
2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone
CID 60884745
1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one
CID 65139678
2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
CID 60884096
(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636460
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79540818

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone (CID 65140079) is 2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1C(=O)CSC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is XVDLPTYFKZRPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FOS/c1-11-7-8-12(16)9-14(11)15(17)10-18-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone?
2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 266.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 65140079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).