1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene

C9H8F2S — CID 102110854

IUPAC1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene
SMILESCSc1ccc(C=C(F)F)cc1
InChIInChI=1S/C9H8F2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3
InChIKeyQUTWDXIDXJHCRH-UHFFFAOYSA-N
MW186.23 g/mol
LogP3.65
Rot. Bonds2

About 1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene

1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene (PubChem CID 102110854) has the molecular formula C9H8F2S and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene
PubChem CID102110854
Molecular FormulaC9H8F2S
Molecular Weight186.23 g/mol
Exact Mass186.03
IUPAC Name1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene
SMILESCSc1ccc(C=C(F)F)cc1
InChIInChI=1S/C9H8F2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3
InChIKeyQUTWDXIDXJHCRH-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene (CID 102110854) is 1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene is CSc1ccc(C=C(F)F)cc1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene?
The InChIKey is QUTWDXIDXJHCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene?
1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene has a molecular weight of 186.23 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene is sourced from PubChem (CID 102110854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).