1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene

C12H10F8 — CID 549032

IUPAC1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene
SMILESFC1=C(F)C2(F)C3CCCCC3C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C12H10F8/c13-7-8(14)10(16)6-4-2-1-3-5(6)9(7,15)11(17,18)12(10,19)20/h5-6H,1-4H2
InChIKeyNXAAAVOVWDQDIU-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.66
Rot. Bonds

About 1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene

1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene (PubChem CID 549032) has the molecular formula C12H10F8 and a molecular weight of 306.20 g/mol. Its IUPAC name is 1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene.

Molecular Properties

Compound Name1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene
PubChem CID549032
Molecular FormulaC12H10F8
Molecular Weight306.20 g/mol
Exact Mass306.07
IUPAC Name1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene
SMILESFC1=C(F)C2(F)C3CCCCC3C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C12H10F8/c13-7-8(14)10(16)6-4-2-1-3-5(6)9(7,15)11(17,18)12(10,19)20/h5-6H,1-4H2
InChIKeyNXAAAVOVWDQDIU-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene?
The IUPAC name of 1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene (CID 549032) is 1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene.
What is the SMILES notation for 1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene?
The canonical SMILES for 1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene is FC1=C(F)C2(F)C3CCCCC3C1(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene?
The InChIKey is NXAAAVOVWDQDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F8/c13-7-8(14)10(16)6-4-2-1-3-5(6)9(7,15)11(17,18)12(10,19)20/h5-6H,1-4H2.
What are the key properties of 1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene?
1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene has a molecular weight of 306.20 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,9,10,11,11,12,12-octafluorotricyclo[6.2.2.02,7]dodec-9-ene is sourced from PubChem (CID 549032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).