4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene

C8H8F2S2 — CID 20873011

IUPAC4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene
SMILESFC1(F)SC2C3C=CC(C3)C2S1
InChIInChI=1S/C8H8F2S2/c9-8(10)11-6-4-1-2-5(3-4)7(6)12-8/h1-2,4-7H,3H2
InChIKeyUSVAOECYYUSXOL-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.96
Rot. Bonds

About 4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene

4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 20873011) has the molecular formula C8H8F2S2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID20873011
Molecular FormulaC8H8F2S2
Molecular Weight206.28 g/mol
Exact Mass206.00
IUPAC Name4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene
SMILESFC1(F)SC2C3C=CC(C3)C2S1
InChIInChI=1S/C8H8F2S2/c9-8(10)11-6-4-1-2-5(3-4)7(6)12-8/h1-2,4-7H,3H2
InChIKeyUSVAOECYYUSXOL-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Spiro[bicyclo[2.2.1]hept-5-ene-2,2'-[1,3]dithiolane]
CID 576303
(1'R,4'R)-spiro[1,3-dithiolane-2,5'-bicyclo[2.2.1]hept-2-ene]
CID 21668814
3,5-Dithiatricyclo[5.2.1.02,6]dec-8-ene-4-thione
CID 20873012
3,5-Dithiatricyclo[5.2.1.02,6]dec-8-ene
CID 135297883
10-Methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene
CID 173097168

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene (CID 20873011) is 4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene is FC1(F)SC2C3C=CC(C3)C2S1.
What is the InChIKey of 4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is USVAOECYYUSXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2S2/c9-8(10)11-6-4-1-2-5(3-4)7(6)12-8/h1-2,4-7H,3H2.
What are the key properties of 4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 206.28 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 20873011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).