4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

C14H12F6 — CID 139664035

IUPAC4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H12F6/c15-13(16,17)11-7-4-8(12(11)14(18,19)20)10-6-2-1-5(3-6)9(7)10/h1-2,5-10H,3-4H2
InChIKeyYOJGABKHNZMTEL-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.50
Rot. Bonds

About 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene (PubChem CID 139664035) has the molecular formula C14H12F6 and a molecular weight of 294.24 g/mol. Its IUPAC name is 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.

Molecular Properties

Compound Name4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
PubChem CID139664035
Molecular FormulaC14H12F6
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Name4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C14H12F6/c15-13(16,17)11-7-4-8(12(11)14(18,19)20)10-6-2-1-5(3-6)9(7)10/h1-2,5-10H,3-4H2
InChIKeyYOJGABKHNZMTEL-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.50
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

5-(Nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 14024088
1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-
CID 136845
5-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 13685039
5,10-Difluorotricyclo[5.2.1.0(2,6)]deca-3,8-diene
CID 558560
2,3,3,4,4,5,5,6-Octafluorotricyclo[5.2.1.02,6]dec-8-ene
CID 12040132
5-(Heptadecafluorooctyl)norborna-2-ene
CID 14024089
5,6-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 14024092
9,9,10-Trifluoro-10-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 15759015
5-(1,1,1,3,3-Pentafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 20776570
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 20776571
5-Fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 20802301
5-(1,1,2,2,2-Pentafluoroethyl)bicyclo[2.2.1]hept-2-ene
CID 21960483

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
The IUPAC name of 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene (CID 139664035) is 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.
What is the SMILES notation for 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
The canonical SMILES for 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene is FC(F)(F)C1=C(C(F)(F)F)C2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
The InChIKey is YOJGABKHNZMTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6/c15-13(16,17)11-7-4-8(12(11)14(18,19)20)10-6-2-1-5(3-6)9(7)10/h1-2,5-10H,3-4H2.
What are the key properties of 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene has a molecular weight of 294.24 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene is sourced from PubChem (CID 139664035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).