1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol

C6H4F4S2 — CID 87901136

IUPAC1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol
SMILESFC1=CC(F)=C(F)C(S)C1(F)S
InChIInChI=1S/C6H4F4S2/c7-2-1-3(8)6(10,12)5(11)4(2)9/h1,5,11-12H
InChIKeyGWRXTDQHJWMWSO-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.90
Rot. Bonds

About 1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol

1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol (PubChem CID 87901136) has the molecular formula C6H4F4S2 and a molecular weight of 216.22 g/mol. Its IUPAC name is 1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol.

Molecular Properties

Compound Name1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol
PubChem CID87901136
Molecular FormulaC6H4F4S2
Molecular Weight216.22 g/mol
Exact Mass215.97
IUPAC Name1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol
SMILESFC1=CC(F)=C(F)C(S)C1(F)S
InChIInChI=1S/C6H4F4S2/c7-2-1-3(8)6(10,12)5(11)4(2)9/h1,5,11-12H
InChIKeyGWRXTDQHJWMWSO-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.90
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 1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol?
The IUPAC name of 1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol (CID 87901136) is 1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol.
What is the SMILES notation for 1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol?
The canonical SMILES for 1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol is FC1=CC(F)=C(F)C(S)C1(F)S.
What is the InChIKey of 1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol?
The InChIKey is GWRXTDQHJWMWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4S2/c7-2-1-3(8)6(10,12)5(11)4(2)9/h1,5,11-12H.
What are the key properties of 1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol?
1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol has a molecular weight of 216.22 g/mol, XLogP of 2.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetrafluorocyclohexa-3,5-diene-1,2-dithiol is sourced from PubChem (CID 87901136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).