1-(disulfanyl)-3,5-difluorobenzene

C6H4F2S2 — CID 87425076

IUPAC1-(disulfanyl)-3,5-difluorobenzene
SMILESFc1cc(F)cc(SS)c1
InChIInChI=1S/C6H4F2S2/c7-4-1-5(8)3-6(2-4)10-9/h1-3,9H
InChIKeyWSIGPSGLCUDOEA-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.90
Rot. Bonds1

About 1-(disulfanyl)-3,5-difluorobenzene

1-(disulfanyl)-3,5-difluorobenzene (PubChem CID 87425076) has the molecular formula C6H4F2S2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(disulfanyl)-3,5-difluorobenzene.

Molecular Properties

Compound Name1-(disulfanyl)-3,5-difluorobenzene
PubChem CID87425076
Molecular FormulaC6H4F2S2
Molecular Weight178.23 g/mol
Exact Mass177.97
IUPAC Name1-(disulfanyl)-3,5-difluorobenzene
SMILESFc1cc(F)cc(SS)c1
InChIInChI=1S/C6H4F2S2/c7-4-1-5(8)3-6(2-4)10-9/h1-3,9H
InChIKeyWSIGPSGLCUDOEA-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.90
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-(disulfanyl)-3,5-difluorobenzene?
The IUPAC name of 1-(disulfanyl)-3,5-difluorobenzene (CID 87425076) is 1-(disulfanyl)-3,5-difluorobenzene.
What is the SMILES notation for 1-(disulfanyl)-3,5-difluorobenzene?
The canonical SMILES for 1-(disulfanyl)-3,5-difluorobenzene is Fc1cc(F)cc(SS)c1.
What is the InChIKey of 1-(disulfanyl)-3,5-difluorobenzene?
The InChIKey is WSIGPSGLCUDOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2S2/c7-4-1-5(8)3-6(2-4)10-9/h1-3,9H.
What are the key properties of 1-(disulfanyl)-3,5-difluorobenzene?
1-(disulfanyl)-3,5-difluorobenzene has a molecular weight of 178.23 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-3,5-difluorobenzene is sourced from PubChem (CID 87425076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).