2,2-difluoroethenylsulfanylbenzene

C8H6F2S — CID 12578045

IUPAC2,2-difluoroethenylsulfanylbenzene
SMILESFC(F)=CSc1ccccc1
InChIInChI=1S/C8H6F2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-6H
InChIKeyOKTVHMGYPOZNHS-UHFFFAOYSA-N
MW172.20 g/mol
LogP3.52
Rot. Bonds2

About 2,2-difluoroethenylsulfanylbenzene

2,2-difluoroethenylsulfanylbenzene (PubChem CID 12578045) has the molecular formula C8H6F2S and a molecular weight of 172.20 g/mol. Its IUPAC name is 2,2-difluoroethenylsulfanylbenzene.

Molecular Properties

Compound Name2,2-difluoroethenylsulfanylbenzene
PubChem CID12578045
Molecular FormulaC8H6F2S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Name2,2-difluoroethenylsulfanylbenzene
SMILESFC(F)=CSc1ccccc1
InChIInChI=1S/C8H6F2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-6H
InChIKeyOKTVHMGYPOZNHS-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethenylsulfanylbenzene?
The IUPAC name of 2,2-difluoroethenylsulfanylbenzene (CID 12578045) is 2,2-difluoroethenylsulfanylbenzene.
What is the SMILES notation for 2,2-difluoroethenylsulfanylbenzene?
The canonical SMILES for 2,2-difluoroethenylsulfanylbenzene is FC(F)=CSc1ccccc1.
What is the InChIKey of 2,2-difluoroethenylsulfanylbenzene?
The InChIKey is OKTVHMGYPOZNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2,2-difluoroethenylsulfanylbenzene?
2,2-difluoroethenylsulfanylbenzene has a molecular weight of 172.20 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethenylsulfanylbenzene is sourced from PubChem (CID 12578045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).