bis(4-chlorophenoxy)-difluoro-λ4-sulfane

C12H8Cl2F2O2S — CID 134930287

IUPACbis(4-chlorophenoxy)-difluoro-λ4-sulfane
SMILESFS(F)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2F2O2S/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H
InChIKeyXQSAONWGJJSSGB-UHFFFAOYSA-N
MW325.16 g/mol
LogP5.85
Rot. Bonds4

About bis(4-chlorophenoxy)-difluoro-λ4-sulfane

bis(4-chlorophenoxy)-difluoro-λ4-sulfane (PubChem CID 134930287) has the molecular formula C12H8Cl2F2O2S and a molecular weight of 325.16 g/mol. Its IUPAC name is bis(4-chlorophenoxy)-difluoro-λ4-sulfane.

Molecular Properties

Compound Namebis(4-chlorophenoxy)-difluoro-λ4-sulfane
PubChem CID134930287
Molecular FormulaC12H8Cl2F2O2S
Molecular Weight325.16 g/mol
Exact Mass323.96
IUPAC Namebis(4-chlorophenoxy)-difluoro-λ4-sulfane
SMILESFS(F)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2F2O2S/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H
InChIKeyXQSAONWGJJSSGB-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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Related Compounds

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CID 582048
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CID 99242
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CID 5743262
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CID 119097678
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CID 119098789
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CID 155645
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CID 23666363
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CID 23677984
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CID 4185151
CID 4185151

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenoxy)-difluoro-λ4-sulfane?
The IUPAC name of bis(4-chlorophenoxy)-difluoro-λ4-sulfane (CID 134930287) is bis(4-chlorophenoxy)-difluoro-λ4-sulfane.
What is the SMILES notation for bis(4-chlorophenoxy)-difluoro-λ4-sulfane?
The canonical SMILES for bis(4-chlorophenoxy)-difluoro-λ4-sulfane is FS(F)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenoxy)-difluoro-λ4-sulfane?
The InChIKey is XQSAONWGJJSSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2O2S/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of bis(4-chlorophenoxy)-difluoro-λ4-sulfane?
bis(4-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(4-chlorophenoxy)-difluoro-λ4-sulfane is sourced from PubChem (CID 134930287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).