2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone

C15H12F2O3S — CID 64638325

IUPAC2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CS(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H12F2O3S/c1-20-14-5-3-2-4-11(14)13(18)9-21(19)15-8-10(16)6-7-12(15)17/h2-8H,9H2,1H3
InChIKeyNPXWHDWMYKGFGK-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.96
Rot. Bonds5

About 2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone

2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone (PubChem CID 64638325) has the molecular formula C15H12F2O3S and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone
PubChem CID64638325
Molecular FormulaC15H12F2O3S
Molecular Weight310.32 g/mol
Exact Mass310.05
IUPAC Name2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CS(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H12F2O3S/c1-20-14-5-3-2-4-11(14)13(18)9-21(19)15-8-10(16)6-7-12(15)17/h2-8H,9H2,1H3
InChIKeyNPXWHDWMYKGFGK-UHFFFAOYSA-N
XLogP2.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 64636678
1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
CID 64641141
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732
1-(2,5-difluorophenyl)sulfinyl-3-methylbutan-2-one
CID 79392957
2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64640534
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2,5-difluorophenyl)sulfinylpentan-2-one
CID 64638329
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
CID 79702150
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone (CID 64638325) is 2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CS(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone?
The InChIKey is NPXWHDWMYKGFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3S/c1-20-14-5-3-2-4-11(14)13(18)9-21(19)15-8-10(16)6-7-12(15)17/h2-8H,9H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone?
2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone has a molecular weight of 310.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 64638325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).