1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene

C18H11Cl2FOS — CID 134956104

IUPAC1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene
SMILESFc1ccc(Oc2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H11Cl2FOS/c19-12-1-6-15(7-2-12)22-17-10-5-14(21)11-18(17)23-16-8-3-13(20)4-9-16/h1-11H
InChIKeyZULCWMXWEICLSH-UHFFFAOYSA-N
MW365.26 g/mol
LogP7.08
Rot. Bonds4

About 1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene

1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene (PubChem CID 134956104) has the molecular formula C18H11Cl2FOS and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene
PubChem CID134956104
Molecular FormulaC18H11Cl2FOS
Molecular Weight365.26 g/mol
Exact Mass363.99
IUPAC Name1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene
SMILESFc1ccc(Oc2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H11Cl2FOS/c19-12-1-6-15(7-2-12)22-17-10-5-14(21)11-18(17)23-16-8-3-13(20)4-9-16/h1-11H
InChIKeyZULCWMXWEICLSH-UHFFFAOYSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene?
The IUPAC name of 1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene (CID 134956104) is 1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene.
What is the SMILES notation for 1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene?
The canonical SMILES for 1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene is Fc1ccc(Oc2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene?
The InChIKey is ZULCWMXWEICLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2FOS/c19-12-1-6-15(7-2-12)22-17-10-5-14(21)11-18(17)23-16-8-3-13(20)4-9-16/h1-11H.
What are the key properties of 1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene?
1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene has a molecular weight of 365.26 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene is sourced from PubChem (CID 134956104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).