2,5-difluorobenzene-1,4-dithiol

C6H4F2S2 — CID 58340204

IUPAC2,5-difluorobenzene-1,4-dithiol
SMILESFc1cc(S)c(F)cc1S
InChIInChI=1S/C6H4F2S2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
InChIKeyWZVLWNBBTLHWDK-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.54
Rot. Bonds

About 2,5-difluorobenzene-1,4-dithiol

2,5-difluorobenzene-1,4-dithiol (PubChem CID 58340204) has the molecular formula C6H4F2S2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,5-difluorobenzene-1,4-dithiol.

Molecular Properties

Compound Name2,5-difluorobenzene-1,4-dithiol
PubChem CID58340204
Molecular FormulaC6H4F2S2
Molecular Weight178.23 g/mol
Exact Mass177.97
IUPAC Name2,5-difluorobenzene-1,4-dithiol
SMILESFc1cc(S)c(F)cc1S
InChIInChI=1S/C6H4F2S2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
InChIKeyWZVLWNBBTLHWDK-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluorobenzene-1,4-dithiol?
The IUPAC name of 2,5-difluorobenzene-1,4-dithiol (CID 58340204) is 2,5-difluorobenzene-1,4-dithiol.
What is the SMILES notation for 2,5-difluorobenzene-1,4-dithiol?
The canonical SMILES for 2,5-difluorobenzene-1,4-dithiol is Fc1cc(S)c(F)cc1S.
What is the InChIKey of 2,5-difluorobenzene-1,4-dithiol?
The InChIKey is WZVLWNBBTLHWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2S2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H.
What are the key properties of 2,5-difluorobenzene-1,4-dithiol?
2,5-difluorobenzene-1,4-dithiol has a molecular weight of 178.23 g/mol, XLogP of 2.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluorobenzene-1,4-dithiol is sourced from PubChem (CID 58340204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).