2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone

C16H14F2OS — CID 18386065

IUPAC2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)Cc2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C16H14F2OS/c1-10-5-12(3-4-16(10)20-2)15(19)8-11-6-13(17)9-14(18)7-11/h3-7,9H,8H2,1-2H3
InChIKeyYRZPPAIJNIRGNT-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.42
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone

2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone (PubChem CID 18386065) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone
PubChem CID18386065
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)Cc2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C16H14F2OS/c1-10-5-12(3-4-16(10)20-2)15(19)8-11-6-13(17)9-14(18)7-11/h3-7,9H,8H2,1-2H3
InChIKeyYRZPPAIJNIRGNT-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
1-(3-methyl-4-methylsulfanylphenyl)ethanone
CID 70350820
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848111
1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 105412231
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379558
2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone (CID 18386065) is 2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)Cc2cc(F)cc(F)c2)cc1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone?
The InChIKey is YRZPPAIJNIRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2OS/c1-10-5-12(3-4-16(10)20-2)15(19)8-11-6-13(17)9-14(18)7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone?
2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone has a molecular weight of 292.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 18386065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).