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

C13H15F3 — CID 58779442

IUPAC9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESFC(F)(F)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C13H15F3/c14-13(15,16)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-12H,3-5H2
InChIKeyLYNAXHUAVQITQG-UHFFFAOYSA-N
MW228.26 g/mol
LogP3.64
Rot. Bonds

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

9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 58779442) has the molecular formula C13H15F3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID58779442
Molecular FormulaC13H15F3
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESFC(F)(F)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C13H15F3/c14-13(15,16)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-12H,3-5H2
InChIKeyLYNAXHUAVQITQG-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 53.64
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-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 58779442) is 9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene is FC(F)(F)C1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is LYNAXHUAVQITQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3/c14-13(15,16)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-12H,3-5H2.
What are the key properties of 9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 228.26 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 58779442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).