1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone

C16H14F2OS — CID 43220232

IUPAC1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C16H14F2OS/c1-10-3-6-16(11(2)7-10)20-9-15(19)13-5-4-12(17)8-14(13)18/h3-8H,9H2,1-2H3
InChIKeyXIZCHCHPTNMJQG-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.56
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone

1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone (PubChem CID 43220232) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone
PubChem CID43220232
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C16H14F2OS/c1-10-3-6-16(11(2)7-10)20-9-15(19)13-5-4-12(17)8-14(13)18/h3-8H,9H2,1-2H3
InChIKeyXIZCHCHPTNMJQG-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 10802537
2-(2,4-dimethylphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 43413772
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
2-(2,4-difluorophenyl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43224802
2-(2,4-dimethylphenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220191
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726367
N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 66070340
2-(2,4-dimethylphenyl)sulfanyl-1-(1-methylpyrrol-3-yl)ethanone
CID 43413768
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone (CID 43220232) is 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone is Cc1ccc(SCC(=O)c2ccc(F)cc2F)c(C)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone?
The InChIKey is XIZCHCHPTNMJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2OS/c1-10-3-6-16(11(2)7-10)20-9-15(19)13-5-4-12(17)8-14(13)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone?
1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone has a molecular weight of 292.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone is sourced from PubChem (CID 43220232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).