2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene

C9H4F8O — CID 23530350

IUPAC2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESFC1(F)C(F)(F)C2(F)C3C=CC(O3)C2(F)C1(F)F
InChIInChI=1S/C9H4F8O/c10-5-3-1-2-4(18-3)6(5,11)8(14,15)9(16,17)7(5,12)13/h1-4H
InChIKeyGDCLCBBMFFNAPM-UHFFFAOYSA-N
MW280.11 g/mol
LogP2.66
Rot. Bonds

About 2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene

2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 23530350) has the molecular formula C9H4F8O and a molecular weight of 280.11 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID23530350
Molecular FormulaC9H4F8O
Molecular Weight280.11 g/mol
Exact Mass280.01
IUPAC Name2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESFC1(F)C(F)(F)C2(F)C3C=CC(O3)C2(F)C1(F)F
InChIInChI=1S/C9H4F8O/c10-5-3-1-2-4(18-3)6(5,11)8(14,15)9(16,17)7(5,12)13/h1-4H
InChIKeyGDCLCBBMFFNAPM-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene (CID 23530350) is 2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene is FC1(F)C(F)(F)C2(F)C3C=CC(O3)C2(F)C1(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is GDCLCBBMFFNAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F8O/c10-5-3-1-2-4(18-3)6(5,11)8(14,15)9(16,17)7(5,12)13/h1-4H.
What are the key properties of 2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene?
2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 280.11 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6-octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 23530350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).