4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene

C6H5FS2 — CID 154100241

IUPAC4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
SMILESFC12C=CC3SC3C1S2
InChIInChI=1S/C6H5FS2/c7-6-2-1-3-4(8-3)5(6)9-6/h1-5H
InChIKeyJLGUXOIVBKSECA-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.82
Rot. Bonds

About 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene

4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 154100241) has the molecular formula C6H5FS2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
PubChem CID154100241
Molecular FormulaC6H5FS2
Molecular Weight160.24 g/mol
Exact Mass159.98
IUPAC Name4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
SMILESFC12C=CC3SC3C1S2
InChIInChI=1S/C6H5FS2/c7-6-2-1-3-4(8-3)5(6)9-6/h1-5H
InChIKeyJLGUXOIVBKSECA-UHFFFAOYSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene with MolForge

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Launch Full Analysis

Related Compounds

Benzene disulfide
CID 86611018
1-Fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 87538700
1,6-Difluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 150272162
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;hexane
CID 88746966
3-Sulfanylidene-3lambda4,8-dithiatricyclo[5.1.0.02,4]oct-5-ene-4-thiol
CID 88755306
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
4-Methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 175159377
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 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene (CID 154100241) is 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene is FC12C=CC3SC3C1S2.
What is the InChIKey of 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is JLGUXOIVBKSECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FS2/c7-6-2-1-3-4(8-3)5(6)9-6/h1-5H.
What are the key properties of 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 160.24 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 154100241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).