(3,4-dichlorophenyl)-pentafluoro-λ6-sulfane

C6H3Cl2F5S — CID 58566852

IUPAC(3,4-dichlorophenyl)-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl2F5S/c7-5-2-1-4(3-6(5)8)14(9,10,11,12)13/h1-3H
InChIKeyWPROSWQFGNWTJI-UHFFFAOYSA-N
MW273.05 g/mol
LogP5.65
Rot. Bonds1

About (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane

(3,4-dichlorophenyl)-pentafluoro-λ6-sulfane (PubChem CID 58566852) has the molecular formula C6H3Cl2F5S and a molecular weight of 273.05 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-pentafluoro-λ6-sulfane
PubChem CID58566852
Molecular FormulaC6H3Cl2F5S
Molecular Weight273.05 g/mol
Exact Mass271.93
IUPAC Name(3,4-dichlorophenyl)-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H3Cl2F5S/c7-5-2-1-4(3-6(5)8)14(9,10,11,12)13/h1-3H
InChIKeyWPROSWQFGNWTJI-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.05
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane?
The IUPAC name of (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane (CID 58566852) is (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane.
What is the SMILES notation for (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane?
The canonical SMILES for (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane?
The InChIKey is WPROSWQFGNWTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F5S/c7-5-2-1-4(3-6(5)8)14(9,10,11,12)13/h1-3H.
What are the key properties of (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane?
(3,4-dichlorophenyl)-pentafluoro-λ6-sulfane has a molecular weight of 273.05 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-pentafluoro-λ6-sulfane is sourced from PubChem (CID 58566852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).