1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene

C12H6F6 — CID 23233732

IUPAC1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene
SMILESFC1=C(F)C2(F)C3=C(C4C=CC3C4)C1(F)C2(F)F
InChIInChI=1S/C12H6F6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-5H,3H2
InChIKeyKUIOMUAIGKUTAP-UHFFFAOYSA-N
MW264.17 g/mol
LogP3.72
Rot. Bonds

About 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene

1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene (PubChem CID 23233732) has the molecular formula C12H6F6 and a molecular weight of 264.17 g/mol. Its IUPAC name is 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene.

Molecular Properties

Compound Name1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene
PubChem CID23233732
Molecular FormulaC12H6F6
Molecular Weight264.17 g/mol
Exact Mass264.04
IUPAC Name1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene
SMILESFC1=C(F)C2(F)C3=C(C4C=CC3C4)C1(F)C2(F)F
InChIInChI=1S/C12H6F6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-5H,3H2
InChIKeyKUIOMUAIGKUTAP-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8,9-Bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene
CID 12814402
9,9,10-Trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
CID 22026370
2-(3,3,4,4,5,5-Hexafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 57628917
2-(4,4,5,5-Tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 88894469
2-(2,2,3,3,4,4,5,5-Octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 88896348
4-(Trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
CID 139646202
4,5-Bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
CID 139664035
1,4:5,8-Dimethanonaphthalene, 1,4,5,8-tetrahydro-, (1alpha,4alpha,5beta,8beta)-
CID 145303
1,7,8,9,10,10-Hexafluorotricyclo[5.2.1.02,6]deca-2(6),3,8-triene
CID 23233731
4,5-Bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
CID 117070093
(1S,3S,6S,8S)-4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
CID 124525533
1,8,9,10,11,11-Hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
CID 162621213

Frequently Asked Questions

What is the IUPAC name of 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene?
The IUPAC name of 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene (CID 23233732) is 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene.
What is the SMILES notation for 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene?
The canonical SMILES for 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene is FC1=C(F)C2(F)C3=C(C4C=CC3C4)C1(F)C2(F)F.
What is the InChIKey of 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene?
The InChIKey is KUIOMUAIGKUTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-5H,3H2.
What are the key properties of 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene?
1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene has a molecular weight of 264.17 g/mol, XLogP of 3.72, 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-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4,9-triene is sourced from PubChem (CID 23233732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).