1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene

C10H8F6 — CID 162576507

IUPAC1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)(F)CC12C=CC(C1)C(C(F)(F)F)=C2
InChIInChI=1S/C10H8F6/c11-9(12,13)5-8-2-1-6(3-8)7(4-8)10(14,15)16/h1-2,4,6H,3,5H2
InChIKeyGZOYQKGILWKNNU-UHFFFAOYSA-N
MW242.16 g/mol
LogP4.00
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene

1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 162576507) has the molecular formula C10H8F6 and a molecular weight of 242.16 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
PubChem CID162576507
Molecular FormulaC10H8F6
Molecular Weight242.16 g/mol
Exact Mass242.05
IUPAC Name1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)(F)CC12C=CC(C1)C(C(F)(F)F)=C2
InChIInChI=1S/C10H8F6/c11-9(12,13)5-8-2-1-6(3-8)7(4-8)10(14,15)16/h1-2,4,6H,3,5H2
InChIKeyGZOYQKGILWKNNU-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene (CID 162576507) is 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene is FC(F)(F)CC12C=CC(C1)C(C(F)(F)F)=C2.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is GZOYQKGILWKNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6/c11-9(12,13)5-8-2-1-6(3-8)7(4-8)10(14,15)16/h1-2,4,6H,3,5H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 242.16 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 162576507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).