1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene

C7H5F3S2 — CID 152645010

IUPAC1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
SMILESFC(F)(F)C12SC1C=CC1SC12
InChIInChI=1S/C7H5F3S2/c8-7(9,10)6-4(12-6)2-1-3-5(6)11-3/h1-5H
InChIKeyZGJBTGSCBFVUJD-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.46
Rot. Bonds

About 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene

1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 152645010) has the molecular formula C7H5F3S2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
PubChem CID152645010
Molecular FormulaC7H5F3S2
Molecular Weight210.25 g/mol
Exact Mass209.98
IUPAC Name1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
SMILESFC(F)(F)C12SC1C=CC1SC12
InChIInChI=1S/C7H5F3S2/c8-7(9,10)6-4(12-6)2-1-3-5(6)11-3/h1-5H
InChIKeyZGJBTGSCBFVUJD-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.46
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 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-Fluorobenzenedisulfide
CID 154100241
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
4-(Trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 154234574
4-Methyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 141013799
1,4-Dimethyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 141373006
4-Methyl-3-sulfanylidene-3lambda4,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 149625013
1,7-Bis(ethenyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 158010907
1-Methyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 172556801
4-(Thiiran-2-yl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 175172733
4-Prop-2-enyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 175404491

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene (CID 152645010) is 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene is FC(F)(F)C12SC1C=CC1SC12.
What is the InChIKey of 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is ZGJBTGSCBFVUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3S2/c8-7(9,10)6-4(12-6)2-1-3-5(6)11-3/h1-5H.
What are the key properties of 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 210.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 152645010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).