1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one

C15H18ClFOS — CID 103039382

IUPAC1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
SMILESO=C(CSC1CCCCC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H18ClFOS/c16-14-9-11(6-7-15(14)17)8-12(18)10-19-13-4-2-1-3-5-13/h6-7,9,13H,1-5,8,10H2
InChIKeyBFFFJLYQSGHPQQ-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.66
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one

1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one (PubChem CID 103039382) has the molecular formula C15H18ClFOS and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
PubChem CID103039382
Molecular FormulaC15H18ClFOS
Molecular Weight300.83 g/mol
Exact Mass300.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
SMILESO=C(CSC1CCCCC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H18ClFOS/c16-14-9-11(6-7-15(14)17)8-12(18)10-19-13-4-2-1-3-5-13/h6-7,9,13H,1-5,8,10H2
InChIKeyBFFFJLYQSGHPQQ-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315
1-(2-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139931
1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 103039496
1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
CID 105405282
1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139930
1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one
CID 65139729
1-tert-butylsulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039378
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 103039599
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one (CID 103039382) is 1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one is O=C(CSC1CCCCC1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one?
The InChIKey is BFFFJLYQSGHPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFOS/c16-14-9-11(6-7-15(14)17)8-12(18)10-19-13-4-2-1-3-5-13/h6-7,9,13H,1-5,8,10H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one?
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one has a molecular weight of 300.83 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one is sourced from PubChem (CID 103039382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).