2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone

C16H14F2OS — CID 106848111

IUPAC2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H14F2OS/c1-2-20-15-5-3-12(4-6-15)16(19)9-11-7-13(17)10-14(18)8-11/h3-8,10H,2,9H2,1H3
InChIKeyBLASTMNTDYADAA-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.50
Rot. Bonds5

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

2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone (PubChem CID 106848111) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
PubChem CID106848111
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H14F2OS/c1-2-20-15-5-3-12(4-6-15)16(19)9-11-7-13(17)10-14(18)8-11/h3-8,10H,2,9H2,1H3
InChIKeyBLASTMNTDYADAA-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
CID 2758285
1-(4-ethylsulfanylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 106847918
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone
CID 106847990
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101
2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone
CID 18386065
2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847868
2-(3-bromo-2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106266342
1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 106847880
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 105412231
1-(4-ethylsulfanylphenyl)nonan-1-one
CID 106847827

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone (CID 106848111) is 2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone is CCSc1ccc(C(=O)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone?
The InChIKey is BLASTMNTDYADAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2OS/c1-2-20-15-5-3-12(4-6-15)16(19)9-11-7-13(17)10-14(18)8-11/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone?
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone has a molecular weight of 292.35 g/mol, XLogP of 4.50, 5 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-(4-ethylsulfanylphenyl)ethanone is sourced from PubChem (CID 106848111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).