9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene

C13H12F6 — CID 22020362

IUPAC9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene
SMILESFC(F)(F)C1(F)C2CC(=C3C4CCC(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/h5-7,9H,1-4H2
InChIKeyBULSQKJQHCIZGT-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.27
Rot. Bonds

About 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene

9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene (PubChem CID 22020362) has the molecular formula C13H12F6 and a molecular weight of 282.23 g/mol. Its IUPAC name is 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene.

Molecular Properties

Compound Name9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene
PubChem CID22020362
Molecular FormulaC13H12F6
Molecular Weight282.23 g/mol
Exact Mass282.08
IUPAC Name9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene
SMILESFC(F)(F)C1(F)C2CC(=C3C4CCC(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/h5-7,9H,1-4H2
InChIKeyBULSQKJQHCIZGT-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene?
The IUPAC name of 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene (CID 22020362) is 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene.
What is the SMILES notation for 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene?
The canonical SMILES for 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene is FC(F)(F)C1(F)C2CC(=C3C4CCC(C4)C32)C1(F)F.
What is the InChIKey of 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene?
The InChIKey is BULSQKJQHCIZGT-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/h5-7,9H,1-4H2.
What are the key properties of 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene?
9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene has a molecular weight of 282.23 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,10-trifluoro-9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-1-ene is sourced from PubChem (CID 22020362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).