7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene

C12H8F6 — CID 13438016

IUPAC7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2C=CC1C1C=CC21
InChIInChI=1S/C12H8F6/c13-11(14,15)9-7-3-4-8(6-2-1-5(6)7)10(9)12(16,17)18/h1-8H
InChIKeyOULXBCHHHQYNNT-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.03
Rot. Bonds

About 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene

7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene (PubChem CID 13438016) has the molecular formula C12H8F6 and a molecular weight of 266.18 g/mol. Its IUPAC name is 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene.

Molecular Properties

Compound Name7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene
PubChem CID13438016
Molecular FormulaC12H8F6
Molecular Weight266.18 g/mol
Exact Mass266.05
IUPAC Name7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2C=CC1C1C=CC21
InChIInChI=1S/C12H8F6/c13-11(14,15)9-7-3-4-8(6-2-1-5(6)7)10(9)12(16,17)18/h1-8H
InChIKeyOULXBCHHHQYNNT-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene 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 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene?
The IUPAC name of 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene (CID 13438016) is 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene.
What is the SMILES notation for 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene?
The canonical SMILES for 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene is FC(F)(F)C1=C(C(F)(F)F)C2C=CC1C1C=CC21.
What is the InChIKey of 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene?
The InChIKey is OULXBCHHHQYNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6/c13-11(14,15)9-7-3-4-8(6-2-1-5(6)7)10(9)12(16,17)18/h1-8H.
What are the key properties of 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene?
7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene has a molecular weight of 266.18 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(trifluoromethyl)tricyclo[4.2.2.02,5]deca-3,7,9-triene is sourced from PubChem (CID 13438016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).