(3-chlorophenyl)-pentafluoro-λ6-sulfane

C6H4ClF5S — CID 72696286

IUPAC(3-chlorophenyl)-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C6H4ClF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H
InChIKeyUOCLZWPTDJLNSC-UHFFFAOYSA-N
MW238.61 g/mol
LogP5.00
Rot. Bonds1

About (3-chlorophenyl)-pentafluoro-λ6-sulfane

(3-chlorophenyl)-pentafluoro-λ6-sulfane (PubChem CID 72696286) has the molecular formula C6H4ClF5S and a molecular weight of 238.61 g/mol. Its IUPAC name is (3-chlorophenyl)-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name(3-chlorophenyl)-pentafluoro-λ6-sulfane
PubChem CID72696286
Molecular FormulaC6H4ClF5S
Molecular Weight238.61 g/mol
Exact Mass237.96
IUPAC Name(3-chlorophenyl)-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C6H4ClF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H
InChIKeyUOCLZWPTDJLNSC-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.61
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-pentafluoro-λ6-sulfane?
The IUPAC name of (3-chlorophenyl)-pentafluoro-λ6-sulfane (CID 72696286) is (3-chlorophenyl)-pentafluoro-λ6-sulfane.
What is the SMILES notation for (3-chlorophenyl)-pentafluoro-λ6-sulfane?
The canonical SMILES for (3-chlorophenyl)-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-pentafluoro-λ6-sulfane?
The InChIKey is UOCLZWPTDJLNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H.
What are the key properties of (3-chlorophenyl)-pentafluoro-λ6-sulfane?
(3-chlorophenyl)-pentafluoro-λ6-sulfane has a molecular weight of 238.61 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-pentafluoro-λ6-sulfane is sourced from PubChem (CID 72696286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).