2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene

C9H8F2O2S — CID 87339541

IUPAC2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
SMILESCS(=O)(=O)/C=C/c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2S/c1-14(12,13)5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3/b5-4+
InChIKeyVNNFOIFWVMKAHR-SNAWJCMRSA-N
MW218.22 g/mol
LogP1.98
Rot. Bonds2

About 2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene

2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene (PubChem CID 87339541) has the molecular formula C9H8F2O2S and a molecular weight of 218.22 g/mol. Its IUPAC name is 2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
PubChem CID87339541
Molecular FormulaC9H8F2O2S
Molecular Weight218.22 g/mol
Exact Mass218.02
IUPAC Name2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
SMILESCS(=O)(=O)/C=C/c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2S/c1-14(12,13)5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3/b5-4+
InChIKeyVNNFOIFWVMKAHR-SNAWJCMRSA-N
XLogP1.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene?
The IUPAC name of 2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene (CID 87339541) is 2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene is CS(=O)(=O)/C=C/c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene?
The InChIKey is VNNFOIFWVMKAHR-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H8F2O2S/c1-14(12,13)5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3/b5-4+.
What are the key properties of 2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene?
2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene has a molecular weight of 218.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene is sourced from PubChem (CID 87339541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).