1,3-difluorobenzene;sulfuryl dichloride

C6H4Cl2F2O2S — CID 87166886

IUPAC1,3-difluorobenzene;sulfuryl dichloride
SMILESFc1cccc(F)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C6H4F2.Cl2O2S/c7-5-2-1-3-6(8)4-5;1-5(2,3)4/h1-4H;
InChIKeyIVARNYMGCNZSQA-UHFFFAOYSA-N
MW249.07 g/mol
LogP2.67
Rot. Bonds

About 1,3-difluorobenzene;sulfuryl dichloride

1,3-difluorobenzene;sulfuryl dichloride (PubChem CID 87166886) has the molecular formula C6H4Cl2F2O2S and a molecular weight of 249.07 g/mol. Its IUPAC name is 1,3-difluorobenzene;sulfuryl dichloride.

Molecular Properties

Compound Name1,3-difluorobenzene;sulfuryl dichloride
PubChem CID87166886
Molecular FormulaC6H4Cl2F2O2S
Molecular Weight249.07 g/mol
Exact Mass247.93
IUPAC Name1,3-difluorobenzene;sulfuryl dichloride
SMILESFc1cccc(F)c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C6H4F2.Cl2O2S/c7-5-2-1-3-6(8)4-5;1-5(2,3)4/h1-4H;
InChIKeyIVARNYMGCNZSQA-UHFFFAOYSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;sulfuryl dichloride?
The IUPAC name of 1,3-difluorobenzene;sulfuryl dichloride (CID 87166886) is 1,3-difluorobenzene;sulfuryl dichloride.
What is the SMILES notation for 1,3-difluorobenzene;sulfuryl dichloride?
The canonical SMILES for 1,3-difluorobenzene;sulfuryl dichloride is Fc1cccc(F)c1.O=S(=O)(Cl)Cl.
What is the InChIKey of 1,3-difluorobenzene;sulfuryl dichloride?
The InChIKey is IVARNYMGCNZSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.Cl2O2S/c7-5-2-1-3-6(8)4-5;1-5(2,3)4/h1-4H;.
What are the key properties of 1,3-difluorobenzene;sulfuryl dichloride?
1,3-difluorobenzene;sulfuryl dichloride has a molecular weight of 249.07 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobenzene;sulfuryl dichloride is sourced from PubChem (CID 87166886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).