1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene

C9H10F2O2S — CID 82079729

IUPAC1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(SC(F)F)c(OC)c1
InChIInChI=1S/C9H10F2O2S/c1-12-6-3-4-8(14-9(10)11)7(5-6)13-2/h3-5,9H,1-2H3
InChIKeyWZWIUXADJKIWKS-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.02
Rot. Bonds4

About 1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene

1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene (PubChem CID 82079729) has the molecular formula C9H10F2O2S and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene
PubChem CID82079729
Molecular FormulaC9H10F2O2S
Molecular Weight220.24 g/mol
Exact Mass220.04
IUPAC Name1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(SC(F)F)c(OC)c1
InChIInChI=1S/C9H10F2O2S/c1-12-6-3-4-8(14-9(10)11)7(5-6)13-2/h3-5,9H,1-2H3
InChIKeyWZWIUXADJKIWKS-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)sulfanyl-3-methylbutanenitrile
CID 117035627
3-(2,4-dimethoxyphenyl)sulfanylbutanoic acid
CID 117033490
S-(2,4-dimethoxyphenyl) ethanethioate
CID 91656983
3-(2,4-dimethoxyphenyl)sulfanylpropanenitrile
CID 117033972
3-(difluoromethylsulfanyl)-4-methoxyaniline
CID 131213749
1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene
CID 132838821
1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
CID 103514415
methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate
CID 117033993
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
1-(2,4-dimethoxyphenyl)sulfanylpiperazine
CID 117033871
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983616
2-(2,2-difluoroethoxy)-1-(2,4-dimethoxyphenyl)ethanol
CID 82007414

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene (CID 82079729) is 1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene is COc1ccc(SC(F)F)c(OC)c1.
What is the InChIKey of 1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene?
The InChIKey is WZWIUXADJKIWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2S/c1-12-6-3-4-8(14-9(10)11)7(5-6)13-2/h3-5,9H,1-2H3.
What are the key properties of 1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene?
1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene has a molecular weight of 220.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 82079729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).