2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone

C14H16F2OS — CID 60884745

IUPAC2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone
SMILESO=C(CSC1CCCCC1)c1c(F)cccc1F
InChIInChI=1S/C14H16F2OS/c15-11-7-4-8-12(16)14(11)13(17)9-18-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChIKeyZRQJBRYAEXNEFG-UHFFFAOYSA-N
MW270.34 g/mol
LogP4.21
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone

2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone (PubChem CID 60884745) has the molecular formula C14H16F2OS and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone
PubChem CID60884745
Molecular FormulaC14H16F2OS
Molecular Weight270.34 g/mol
Exact Mass270.09
IUPAC Name2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone
SMILESO=C(CSC1CCCCC1)c1c(F)cccc1F
InChIInChI=1S/C14H16F2OS/c15-11-7-4-8-12(16)14(11)13(17)9-18-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChIKeyZRQJBRYAEXNEFG-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
CID 55178865
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanone
CID 60645510
2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
CID 2341406
1-(3-bromophenyl)-2-cyclohexylsulfanylethanone
CID 60645355
1-(2,6-difluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752436
2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 65139426
2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone
CID 64640573
2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 2381216
2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone
CID 65140079
2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone
CID 65138850
2-cyclopentylsulfanyl-1-(3-nitrophenyl)ethanone
CID 63115450
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone (CID 60884745) is 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone is O=C(CSC1CCCCC1)c1c(F)cccc1F.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone?
The InChIKey is ZRQJBRYAEXNEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2OS/c15-11-7-4-8-12(16)14(11)13(17)9-18-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone?
2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone has a molecular weight of 270.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 60884745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).