8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene

C8H10F3N — CID 67600447

IUPAC8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESFC(F)(F)N1C2C=CCC1CC2
InChIInChI=1S/C8H10F3N/c9-8(10,11)12-6-2-1-3-7(12)5-4-6/h1-2,6-7H,3-5H2
InChIKeyIEMYTLNIXQVGCA-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.30
Rot. Bonds

About 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene

8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 67600447) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID67600447
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESFC(F)(F)N1C2C=CCC1CC2
InChIInChI=1S/C8H10F3N/c9-8(10,11)12-6-2-1-3-7(12)5-4-6/h1-2,6-7H,3-5H2
InChIKeyIEMYTLNIXQVGCA-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-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 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene (CID 67600447) is 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene is FC(F)(F)N1C2C=CCC1CC2.
What is the InChIKey of 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is IEMYTLNIXQVGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c9-8(10,11)12-6-2-1-3-7(12)5-4-6/h1-2,6-7H,3-5H2.
What are the key properties of 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene?
8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 177.17 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 67600447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).