4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene

C14H12F6 — CID 117070093

IUPAC4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2CC1C1=C2C2CCC1C2
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/h5-8H,1-4H2
InChIKeyUDUVUUDAMMECBW-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.78
Rot. Bonds

About 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene

4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene (PubChem CID 117070093) 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-2(7),4-diene.

Molecular Properties

Compound Name4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
PubChem CID117070093
Molecular FormulaC14H12F6
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Name4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2CC1C1=C2C2CCC1C2
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/h5-8H,1-4H2
InChIKeyUDUVUUDAMMECBW-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
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 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
The IUPAC name of 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene (CID 117070093) is 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene.
What is the SMILES notation for 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
The canonical SMILES for 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene is FC(F)(F)C1=C(C(F)(F)F)C2CC1C1=C2C2CCC1C2.
What is the InChIKey of 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
The InChIKey is UDUVUUDAMMECBW-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/h5-8H,1-4H2.
What are the key properties of 4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene?
4,5-bis(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodeca-2(7),4-diene has a molecular weight of 294.24 g/mol, XLogP of 4.78, 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-2(7),4-diene is sourced from PubChem (CID 117070093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).