2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C11H17F2NO2 — CID 79606359

IUPAC2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2CC(F)F
InChIInChI=1S/C11H17F2NO2/c12-10(13)6-14-8-1-2-9(14)4-7(3-8)5-11(15)16/h7-10H,1-6H2,(H,15,16)
InChIKeyKDURYLRUWICWQG-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.97
Rot. Bonds4

About 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79606359) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79606359
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2CC(F)F
InChIInChI=1S/C11H17F2NO2/c12-10(13)6-14-8-1-2-9(14)4-7(3-8)5-11(15)16/h7-10H,1-6H2,(H,15,16)
InChIKeyKDURYLRUWICWQG-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid 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 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79606359) is 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2CC(F)F.
What is the InChIKey of 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is KDURYLRUWICWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-10(13)6-14-8-1-2-9(14)4-7(3-8)5-11(15)16/h7-10H,1-6H2,(H,15,16).
What are the key properties of 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 233.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79606359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).