8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane

C10H17F2N — CID 123490402

IUPAC8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2CC(F)F
InChIInChI=1S/C10H17F2N/c1-7-4-8-2-3-9(5-7)13(8)6-10(11)12/h7-10H,2-6H2,1H3
InChIKeyXIFLEDORJMCZGS-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.51
Rot. Bonds2

About 8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane

8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 123490402) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
PubChem CID123490402
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2CC(F)F
InChIInChI=1S/C10H17F2N/c1-7-4-8-2-3-9(5-7)13(8)6-10(11)12/h7-10H,2-6H2,1H3
InChIKeyXIFLEDORJMCZGS-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane 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-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane (CID 123490402) is 8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane is CC1CC2CCC(C1)N2CC(F)F.
What is the InChIKey of 8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is XIFLEDORJMCZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7-4-8-2-3-9(5-7)13(8)6-10(11)12/h7-10H,2-6H2,1H3.
What are the key properties of 8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane?
8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 189.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 123490402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).