1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene

C9H10F2OS — CID 146626733

IUPAC1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene
SMILESCOc1c(F)cc(F)cc1CSC
InChIInChI=1S/C9H10F2OS/c1-12-9-6(5-13-2)3-7(10)4-8(9)11/h3-4H,5H2,1-2H3
InChIKeyDCANZAHQPTUTKS-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.84
Rot. Bonds3

About 1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene

1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene (PubChem CID 146626733) has the molecular formula C9H10F2OS and a molecular weight of 204.24 g/mol. Its IUPAC name is 1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene
PubChem CID146626733
Molecular FormulaC9H10F2OS
Molecular Weight204.24 g/mol
Exact Mass204.04
IUPAC Name1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene
SMILESCOc1c(F)cc(F)cc1CSC
InChIInChI=1S/C9H10F2OS/c1-12-9-6(5-13-2)3-7(10)4-8(9)11/h3-4H,5H2,1-2H3
InChIKeyDCANZAHQPTUTKS-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400
1-(3,5-difluoro-2-methoxyphenyl)propan-2-one
CID 83880632
1,5-difluoro-3-(isocyanatomethyl)-2-methoxybenzene
CID 117288170
CID 21097811
CID 21097811
1-tert-butyl-3,5-difluoro-2-methoxybenzene
CID 59343854
1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
CID 10798945
4-fluoro-2-(methylsulfanylmethyl)benzenethiol
CID 123278102
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
(5-fluoro-2-methoxy-3-methylphenyl)methanol
CID 84653739
(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 66514208
(2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane
CID 177045574

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene?
The IUPAC name of 1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene (CID 146626733) is 1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene.
What is the SMILES notation for 1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene?
The canonical SMILES for 1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene is COc1c(F)cc(F)cc1CSC.
What is the InChIKey of 1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene?
The InChIKey is DCANZAHQPTUTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2OS/c1-12-9-6(5-13-2)3-7(10)4-8(9)11/h3-4H,5H2,1-2H3.
What are the key properties of 1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene?
1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene has a molecular weight of 204.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene is sourced from PubChem (CID 146626733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).