1-chloro-3-(disulfanyl)-5-fluorobenzene

C6H4ClFS2 — CID 90697834

IUPAC1-chloro-3-(disulfanyl)-5-fluorobenzene
SMILESFc1cc(Cl)cc(SS)c1
InChIInChI=1S/C6H4ClFS2/c7-4-1-5(8)3-6(2-4)10-9/h1-3,9H
InChIKeyWLJJAIKWZUXHJG-UHFFFAOYSA-N
MW194.68 g/mol
LogP3.42
Rot. Bonds1

About 1-chloro-3-(disulfanyl)-5-fluorobenzene

1-chloro-3-(disulfanyl)-5-fluorobenzene (PubChem CID 90697834) has the molecular formula C6H4ClFS2 and a molecular weight of 194.68 g/mol. Its IUPAC name is 1-chloro-3-(disulfanyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-(disulfanyl)-5-fluorobenzene
PubChem CID90697834
Molecular FormulaC6H4ClFS2
Molecular Weight194.68 g/mol
Exact Mass193.94
IUPAC Name1-chloro-3-(disulfanyl)-5-fluorobenzene
SMILESFc1cc(Cl)cc(SS)c1
InChIInChI=1S/C6H4ClFS2/c7-4-1-5(8)3-6(2-4)10-9/h1-3,9H
InChIKeyWLJJAIKWZUXHJG-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.68
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(disulfanyl)-5-fluorobenzene?
The IUPAC name of 1-chloro-3-(disulfanyl)-5-fluorobenzene (CID 90697834) is 1-chloro-3-(disulfanyl)-5-fluorobenzene.
What is the SMILES notation for 1-chloro-3-(disulfanyl)-5-fluorobenzene?
The canonical SMILES for 1-chloro-3-(disulfanyl)-5-fluorobenzene is Fc1cc(Cl)cc(SS)c1.
What is the InChIKey of 1-chloro-3-(disulfanyl)-5-fluorobenzene?
The InChIKey is WLJJAIKWZUXHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFS2/c7-4-1-5(8)3-6(2-4)10-9/h1-3,9H.
What are the key properties of 1-chloro-3-(disulfanyl)-5-fluorobenzene?
1-chloro-3-(disulfanyl)-5-fluorobenzene has a molecular weight of 194.68 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(disulfanyl)-5-fluorobenzene is sourced from PubChem (CID 90697834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).