9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C13H12F6 — CID 15759015

IUPAC9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESFC(F)(F)C1(F)C2CC(C3C4C=CC(C4)C32)C1(F)F
InChIInChI=1S/C13H12F6/c14-11(13(17,18)19)7-4-8(12(11,15)16)10-6-2-1-5(3-6)9(7)10/h1-2,5-10H,3-4H2
InChIKeyAOQLYECUIIBGFT-UHFFFAOYSA-N
MW282.23 g/mol
LogP3.98
Rot. Bonds

About 9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 15759015) has the molecular formula C13H12F6 and a molecular weight of 282.23 g/mol. Its IUPAC name is 9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID15759015
Molecular FormulaC13H12F6
Molecular Weight282.23 g/mol
Exact Mass282.08
IUPAC Name9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESFC(F)(F)C1(F)C2CC(C3C4C=CC(C4)C32)C1(F)F
InChIInChI=1S/C13H12F6/c14-11(13(17,18)19)7-4-8(12(11,15)16)10-6-2-1-5(3-6)9(7)10/h1-2,5-10H,3-4H2
InChIKeyAOQLYECUIIBGFT-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of 9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 15759015) is 9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene is FC(F)(F)C1(F)C2CC(C3C4C=CC(C4)C32)C1(F)F.
What is the InChIKey of 9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is AOQLYECUIIBGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F6/c14-11(13(17,18)19)7-4-8(12(11,15)16)10-6-2-1-5(3-6)9(7)10/h1-2,5-10H,3-4H2.
What are the key properties of 9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 282.23 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10-trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 15759015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).