2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone

C15H18F2O2S — CID 2381329

IUPAC2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone
SMILESO=C(CSC1CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18F2O2S/c16-15(17)19-12-8-6-11(7-9-12)14(18)10-20-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2
InChIKeyDFTQKDGJBZWCTO-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.54
Rot. Bonds6

About 2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone

2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone (PubChem CID 2381329) has the molecular formula C15H18F2O2S and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone
PubChem CID2381329
Molecular FormulaC15H18F2O2S
Molecular Weight300.37 g/mol
Exact Mass300.10
IUPAC Name2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone
SMILESO=C(CSC1CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18F2O2S/c16-15(17)19-12-8-6-11(7-9-12)14(18)10-20-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2
InChIKeyDFTQKDGJBZWCTO-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone (CID 2381329) is 2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone is O=C(CSC1CCCCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone?
The InChIKey is DFTQKDGJBZWCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2S/c16-15(17)19-12-8-6-11(7-9-12)14(18)10-20-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2.
What are the key properties of 2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone?
2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone has a molecular weight of 300.37 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-[4-(difluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 2381329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).