3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

C10H4F4O — CID 13419514

IUPAC3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFc1c(F)c(F)c2c(c1F)C1C=CC2O1
InChIInChI=1S/C10H4F4O/c11-7-5-3-1-2-4(15-3)6(5)8(12)10(14)9(7)13/h1-4H
InChIKeyAOZVTAXLAUTRKH-UHFFFAOYSA-N
MW216.13 g/mol
LogP2.93
Rot. Bonds

About 3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 13419514) has the molecular formula C10H4F4O and a molecular weight of 216.13 g/mol. Its IUPAC name is 3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID13419514
Molecular FormulaC10H4F4O
Molecular Weight216.13 g/mol
Exact Mass216.02
IUPAC Name3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESFc1c(F)c(F)c2c(c1F)C1C=CC2O1
InChIInChI=1S/C10H4F4O/c11-7-5-3-1-2-4(15-3)6(5)8(12)10(14)9(7)13/h1-4H
InChIKeyAOZVTAXLAUTRKH-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of 3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 13419514) is 3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for 3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for 3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is Fc1c(F)c(F)c2c(c1F)C1C=CC2O1.
What is the InChIKey of 3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is AOZVTAXLAUTRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4O/c11-7-5-3-1-2-4(15-3)6(5)8(12)10(14)9(7)13/h1-4H.
What are the key properties of 3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 216.13 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrafluoro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 13419514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).