2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone

C15H12F2O2S — CID 62785613

IUPAC2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)COc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H12F2O2S/c1-20-14-4-2-10(3-5-14)15(18)9-19-13-7-11(16)6-12(17)8-13/h2-8H,9H2,1H3
InChIKeyVVOXPJBQUICHOU-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.95
Rot. Bonds5

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

2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 62785613) has the molecular formula C15H12F2O2S and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID62785613
Molecular FormulaC15H12F2O2S
Molecular Weight294.32 g/mol
Exact Mass294.05
IUPAC Name2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)COc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H12F2O2S/c1-20-14-4-2-10(3-5-14)15(18)9-19-13-7-11(16)6-12(17)8-13/h2-8H,9H2,1H3
InChIKeyVVOXPJBQUICHOU-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624163
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
CID 81331658
(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 2758307
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556
2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 11370711
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(4-methylsulfanylphenyl)ethanone
CID 102722519
4-methyl-3-[2-(4-methylsulfanylphenyl)-2-oxoethoxy]benzonitrile
CID 107659317
2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone (CID 62785613) is 2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)COc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is VVOXPJBQUICHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2S/c1-20-14-4-2-10(3-5-14)15(18)9-19-13-7-11(16)6-12(17)8-13/h2-8H,9H2,1H3.
What are the key properties of 2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone?
2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 294.32 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 62785613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).