1-azabicyclo[2.2.2]octane;fluoroform

C8H14F3N — CID 160938780

IUPAC1-azabicyclo[2.2.2]octane;fluoroform
SMILESC1CN2CCC1CC2.FC(F)F
InChIInChI=1S/C7H13N.CHF3/c1-4-8-5-2-7(1)3-6-8;2-1(3)4/h7H,1-6H2;1H
InChIKeySUFNJKVAFNYIMQ-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.28
Rot. Bonds

About 1-azabicyclo[2.2.2]octane;fluoroform

1-azabicyclo[2.2.2]octane;fluoroform (PubChem CID 160938780) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octane;fluoroform.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octane;fluoroform
PubChem CID160938780
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1-azabicyclo[2.2.2]octane;fluoroform
SMILESC1CN2CCC1CC2.FC(F)F
InChIInChI=1S/C7H13N.CHF3/c1-4-8-5-2-7(1)3-6-8;2-1(3)4/h7H,1-6H2;1H
InChIKeySUFNJKVAFNYIMQ-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-azabicyclo[2.2.2]octane;fluoroform 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 1-azabicyclo[2.2.2]octane;fluoroform?
The IUPAC name of 1-azabicyclo[2.2.2]octane;fluoroform (CID 160938780) is 1-azabicyclo[2.2.2]octane;fluoroform.
What is the SMILES notation for 1-azabicyclo[2.2.2]octane;fluoroform?
The canonical SMILES for 1-azabicyclo[2.2.2]octane;fluoroform is C1CN2CCC1CC2.FC(F)F.
What is the InChIKey of 1-azabicyclo[2.2.2]octane;fluoroform?
The InChIKey is SUFNJKVAFNYIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.CHF3/c1-4-8-5-2-7(1)3-6-8;2-1(3)4/h7H,1-6H2;1H.
What are the key properties of 1-azabicyclo[2.2.2]octane;fluoroform?
1-azabicyclo[2.2.2]octane;fluoroform has a molecular weight of 181.20 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octane;fluoroform is sourced from PubChem (CID 160938780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).