2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone

C15H17F3OS — CID 65139426

IUPAC2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CSC1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3OS/c16-15(17,18)12-6-4-5-11(9-12)14(19)10-20-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChIKeyJTRWHUHZKNHCBI-UHFFFAOYSA-N
MW302.36 g/mol
LogP4.95
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone

2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 65139426) has the molecular formula C15H17F3OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID65139426
Molecular FormulaC15H17F3OS
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CSC1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3OS/c16-15(17,18)12-6-4-5-11(9-12)14(19)10-20-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChIKeyJTRWHUHZKNHCBI-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 2381216
2-cyclopentylsulfanyl-1-(3-nitrophenyl)ethanone
CID 63115450
2-prop-2-ynylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 19972096
2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone
CID 60884745
2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 116582339
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
2-cyclohexylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 60645369
2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 141495057
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
CID 65139680
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 79558524
2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone
CID 82052807
[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone
CID 116584636

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone (CID 65139426) is 2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(CSC1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is JTRWHUHZKNHCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3OS/c16-15(17,18)12-6-4-5-11(9-12)14(19)10-20-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2.
What are the key properties of 2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone?
2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 302.36 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 65139426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).