3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene

C8H6F4O — CID 3546327

IUPAC3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene
SMILESFC1(F)C2C3C=CC(O3)C2C1(F)F
InChIInChI=1S/C8H6F4O/c9-7(10)5-3-1-2-4(13-3)6(5)8(7,11)12/h1-6H
InChIKeyOBMJVYQRSVXUKM-UHFFFAOYSA-N
MW194.13 g/mol
LogP1.84
Rot. Bonds

About 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene

3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene (PubChem CID 3546327) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene
PubChem CID3546327
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene
SMILESFC1(F)C2C3C=CC(O3)C2C1(F)F
InChIInChI=1S/C8H6F4O/c9-7(10)5-3-1-2-4(13-3)6(5)8(7,11)12/h1-6H
InChIKeyOBMJVYQRSVXUKM-UHFFFAOYSA-N
XLogP1.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene?
The IUPAC name of 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene (CID 3546327) is 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene?
The canonical SMILES for 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene is FC1(F)C2C3C=CC(O3)C2C1(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene?
The InChIKey is OBMJVYQRSVXUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c9-7(10)5-3-1-2-4(13-3)6(5)8(7,11)12/h1-6H.
What are the key properties of 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene?
3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene has a molecular weight of 194.13 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-9-oxatricyclo[4.2.1.02,5]non-7-ene is sourced from PubChem (CID 3546327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).