1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one

C16H14F2OS — CID 43218651

IUPAC1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
SMILESCc1ccc(SC(C)C(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H14F2OS/c1-10-3-6-13(7-4-10)20-11(2)16(19)12-5-8-14(17)15(18)9-12/h3-9,11H,1-2H3
InChIKeyOOQNGQJKNCYXRG-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.64
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one

1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one (PubChem CID 43218651) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
PubChem CID43218651
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
SMILESCc1ccc(SC(C)C(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H14F2OS/c1-10-3-6-13(7-4-10)20-11(2)16(19)12-5-8-14(17)15(18)9-12/h3-9,11H,1-2H3
InChIKeyOOQNGQJKNCYXRG-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
CID 43218364
2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43413028
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
1-(3,4-difluorophenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 4814043
2-(3,4-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224954
1-(3,4-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-one
CID 62408787
1-(3,4-difluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]propan-1-one
CID 62765037
(2R)-1-(3,4-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7794696
N-[4-[2-(3,4-difluorophenyl)sulfanylpropanoyl]phenyl]methanesulfonamide
CID 18199605
1-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one
CID 43412464
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(3,4-difluorophenyl)propan-1-one
CID 61341373
(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 978027

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one (CID 43218651) is 1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one is Cc1ccc(SC(C)C(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one?
The InChIKey is OOQNGQJKNCYXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2OS/c1-10-3-6-13(7-4-10)20-11(2)16(19)12-5-8-14(17)15(18)9-12/h3-9,11H,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one?
1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one has a molecular weight of 292.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one is sourced from PubChem (CID 43218651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).