bis(3-chlorophenoxy)-difluoro-λ4-sulfane

C12H8Cl2F2O2S — CID 134930228

IUPACbis(3-chlorophenoxy)-difluoro-λ4-sulfane
SMILESFS(F)(Oc1cccc(Cl)c1)Oc1cccc(Cl)c1
InChIInChI=1S/C12H8Cl2F2O2S/c13-9-3-1-5-11(7-9)17-19(15,16)18-12-6-2-4-10(14)8-12/h1-8H
InChIKeyPUTSXNNFEMKOEW-UHFFFAOYSA-N
MW325.16 g/mol
LogP5.85
Rot. Bonds4

About bis(3-chlorophenoxy)-difluoro-λ4-sulfane

bis(3-chlorophenoxy)-difluoro-λ4-sulfane (PubChem CID 134930228) has the molecular formula C12H8Cl2F2O2S and a molecular weight of 325.16 g/mol. Its IUPAC name is bis(3-chlorophenoxy)-difluoro-λ4-sulfane.

Molecular Properties

Compound Namebis(3-chlorophenoxy)-difluoro-λ4-sulfane
PubChem CID134930228
Molecular FormulaC12H8Cl2F2O2S
Molecular Weight325.16 g/mol
Exact Mass323.96
IUPAC Namebis(3-chlorophenoxy)-difluoro-λ4-sulfane
SMILESFS(F)(Oc1cccc(Cl)c1)Oc1cccc(Cl)c1
InChIInChI=1S/C12H8Cl2F2O2S/c13-9-3-1-5-11(7-9)17-19(15,16)18-12-6-2-4-10(14)8-12/h1-8H
InChIKeyPUTSXNNFEMKOEW-UHFFFAOYSA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.16
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(3-chlorophenoxy)-difluoro-λ4-sulfane?
The IUPAC name of bis(3-chlorophenoxy)-difluoro-λ4-sulfane (CID 134930228) is bis(3-chlorophenoxy)-difluoro-λ4-sulfane.
What is the SMILES notation for bis(3-chlorophenoxy)-difluoro-λ4-sulfane?
The canonical SMILES for bis(3-chlorophenoxy)-difluoro-λ4-sulfane is FS(F)(Oc1cccc(Cl)c1)Oc1cccc(Cl)c1.
What is the InChIKey of bis(3-chlorophenoxy)-difluoro-λ4-sulfane?
The InChIKey is PUTSXNNFEMKOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2O2S/c13-9-3-1-5-11(7-9)17-19(15,16)18-12-6-2-4-10(14)8-12/h1-8H.
What are the key properties of bis(3-chlorophenoxy)-difluoro-λ4-sulfane?
bis(3-chlorophenoxy)-difluoro-λ4-sulfane has a molecular weight of 325.16 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chlorophenoxy)-difluoro-λ4-sulfane is sourced from PubChem (CID 134930228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).