1,4-difluoro-2-methyl-3-methylsulfanylbenzene

C8H8F2S — CID 131075154

IUPAC1,4-difluoro-2-methyl-3-methylsulfanylbenzene
SMILESCSc1c(F)ccc(F)c1C
InChIInChI=1S/C8H8F2S/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H,1-2H3
InChIKeyYMRKJCRPLDMPML-UHFFFAOYSA-N
MW174.22 g/mol
LogP3.00
Rot. Bonds1

About 1,4-difluoro-2-methyl-3-methylsulfanylbenzene

1,4-difluoro-2-methyl-3-methylsulfanylbenzene (PubChem CID 131075154) has the molecular formula C8H8F2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1,4-difluoro-2-methyl-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1,4-difluoro-2-methyl-3-methylsulfanylbenzene
PubChem CID131075154
Molecular FormulaC8H8F2S
Molecular Weight174.22 g/mol
Exact Mass174.03
IUPAC Name1,4-difluoro-2-methyl-3-methylsulfanylbenzene
SMILESCSc1c(F)ccc(F)c1C
InChIInChI=1S/C8H8F2S/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H,1-2H3
InChIKeyYMRKJCRPLDMPML-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-methyl-3-methylsulfanylbenzene?
The IUPAC name of 1,4-difluoro-2-methyl-3-methylsulfanylbenzene (CID 131075154) is 1,4-difluoro-2-methyl-3-methylsulfanylbenzene.
What is the SMILES notation for 1,4-difluoro-2-methyl-3-methylsulfanylbenzene?
The canonical SMILES for 1,4-difluoro-2-methyl-3-methylsulfanylbenzene is CSc1c(F)ccc(F)c1C.
What is the InChIKey of 1,4-difluoro-2-methyl-3-methylsulfanylbenzene?
The InChIKey is YMRKJCRPLDMPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2S/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H,1-2H3.
What are the key properties of 1,4-difluoro-2-methyl-3-methylsulfanylbenzene?
1,4-difluoro-2-methyl-3-methylsulfanylbenzene has a molecular weight of 174.22 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-methyl-3-methylsulfanylbenzene is sourced from PubChem (CID 131075154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).