2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene

C10H6F8 — CID 12040132

IUPAC2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene
SMILESFC1(F)C(F)(F)C2(F)C3C=CC(C3)C2(F)C1(F)F
InChIInChI=1S/C10H6F8/c11-6-4-1-2-5(3-4)7(6,12)9(15,16)10(17,18)8(6,13)14/h1-2,4-5H,3H2
InChIKeyJRTNBFDBMDMYAL-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.53
Rot. Bonds

About 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene

2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 12040132) has the molecular formula C10H6F8 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene
PubChem CID12040132
Molecular FormulaC10H6F8
Molecular Weight278.14 g/mol
Exact Mass278.03
IUPAC Name2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene
SMILESFC1(F)C(F)(F)C2(F)C3C=CC(C3)C2(F)C1(F)F
InChIInChI=1S/C10H6F8/c11-6-4-1-2-5(3-4)7(6,12)9(15,16)10(17,18)8(6,13)14/h1-2,4-5H,3H2
InChIKeyJRTNBFDBMDMYAL-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-octafluorotricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene (CID 12040132) is 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene is FC1(F)C(F)(F)C2(F)C3C=CC(C3)C2(F)C1(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is JRTNBFDBMDMYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8/c11-6-4-1-2-5(3-4)7(6,12)9(15,16)10(17,18)8(6,13)14/h1-2,4-5H,3H2.
What are the key properties of 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene?
2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 278.14 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 12040132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).