2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one

C15H18F2OS — CID 60698486

IUPAC2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one
SMILESCC(SC1CCCCC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2OS/c1-10(19-12-5-3-2-4-6-12)15(18)13-8-7-11(16)9-14(13)17/h7-10,12H,2-6H2,1H3
InChIKeyQRQOHYXUEAYCOM-UHFFFAOYSA-N
MW284.37 g/mol
LogP4.60
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one

2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one (PubChem CID 60698486) has the molecular formula C15H18F2OS and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one
PubChem CID60698486
Molecular FormulaC15H18F2OS
Molecular Weight284.37 g/mol
Exact Mass284.10
IUPAC Name2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one
SMILESCC(SC1CCCCC1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2OS/c1-10(19-12-5-3-2-4-6-12)15(18)13-8-7-11(16)9-14(13)17/h7-10,12H,2-6H2,1H3
InChIKeyQRQOHYXUEAYCOM-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one
CID 55025258
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
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1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one
CID 43232354
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
1-(2,4-difluorophenyl)-2-(3-hydroxypropylsulfanyl)propan-1-one
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N-[4-[(2S)-2-cyclohexylsulfanylpropanoyl]phenyl]acetamide
CID 25498898
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1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
1-(2,4-difluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 60708864
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63763871

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one (CID 60698486) is 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one is CC(SC1CCCCC1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one?
The InChIKey is QRQOHYXUEAYCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2OS/c1-10(19-12-5-3-2-4-6-12)15(18)13-8-7-11(16)9-14(13)17/h7-10,12H,2-6H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one?
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one has a molecular weight of 284.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 60698486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).