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

C8H10F3N — CID 118008135

IUPAC3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESFC(F)(F)C1=CC2CCC(C1)N2
InChIInChI=1S/C8H10F3N/c9-8(10,11)5-3-6-1-2-7(4-5)12-6/h3,6-7,12H,1-2,4H2
InChIKeyURIMVSAVUVMJEL-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.00
Rot. Bonds

About 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene

3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 118008135) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID118008135
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESFC(F)(F)C1=CC2CCC(C1)N2
InChIInChI=1S/C8H10F3N/c9-8(10,11)5-3-6-1-2-7(4-5)12-6/h3,6-7,12H,1-2,4H2
InChIKeyURIMVSAVUVMJEL-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene (CID 118008135) is 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene is FC(F)(F)C1=CC2CCC(C1)N2.
What is the InChIKey of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is URIMVSAVUVMJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c9-8(10,11)5-3-6-1-2-7(4-5)12-6/h3,6-7,12H,1-2,4H2.
What are the key properties of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene?
3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 177.17 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 118008135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).