1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene

C6H4F2S2 — CID 150272162

IUPAC1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
SMILESFC1=CC2SC2C2(F)SC12
InChIInChI=1S/C6H4F2S2/c7-2-1-3-5(9-3)6(8)4(2)10-6/h1,3-5H
InChIKeyGDUHQUXISARGFD-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.12
Rot. Bonds

About 1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene

1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 150272162) has the molecular formula C6H4F2S2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
PubChem CID150272162
Molecular FormulaC6H4F2S2
Molecular Weight178.23 g/mol
Exact Mass177.97
IUPAC Name1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
SMILESFC1=CC2SC2C2(F)SC12
InChIInChI=1S/C6H4F2S2/c7-2-1-3-5(9-3)6(8)4(2)10-6/h1,3-5H
InChIKeyGDUHQUXISARGFD-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

p-Fluorobenzenedisulfide
CID 154100241
Benzene disulfide
CID 86611018
1-Fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 87538700
1-(Trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 152645010
4-(Trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 154234574
3,8-Dithiatricyclo[5.1.0.02,4]oct-5-ene-1-thiol
CID 141280562
3,8-Dithiatricyclo[5.1.0.02,4]oct-5-ene-4-thiol
CID 149672958
3,8-Dithiatricyclo[5.1.0.02,4]oct-5-ene;methane
CID 175606471
CID 176246386
CID 176246386

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene (CID 150272162) is 1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene is FC1=CC2SC2C2(F)SC12.
What is the InChIKey of 1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is GDUHQUXISARGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2S2/c7-2-1-3-5(9-3)6(8)4(2)10-6/h1,3-5H.
What are the key properties of 1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 178.23 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 150272162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).