ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate

C11H18FNO3 — CID 105366099

IUPACethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate
SMILESCCOC(=O)C(F)C1(O)CCN2CCC1C2
InChIInChI=1S/C11H18FNO3/c1-2-16-10(14)9(12)11(15)4-6-13-5-3-8(11)7-13/h8-9,15H,2-7H2,1H3
InChIKeyUYFHYDABXRXYRB-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.34
Rot. Bonds3

About ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate

ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate (PubChem CID 105366099) has the molecular formula C11H18FNO3 and a molecular weight of 231.27 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate
PubChem CID105366099
Molecular FormulaC11H18FNO3
Molecular Weight231.27 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate
SMILESCCOC(=O)C(F)C1(O)CCN2CCC1C2
InChIInChI=1S/C11H18FNO3/c1-2-16-10(14)9(12)11(15)4-6-13-5-3-8(11)7-13/h8-9,15H,2-7H2,1H3
InChIKeyUYFHYDABXRXYRB-UHFFFAOYSA-N
XLogP0.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate 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 ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate (CID 105366099) is ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate is CCOC(=O)C(F)C1(O)CCN2CCC1C2.
What is the InChIKey of ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate?
The InChIKey is UYFHYDABXRXYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO3/c1-2-16-10(14)9(12)11(15)4-6-13-5-3-8(11)7-13/h8-9,15H,2-7H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate?
ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate has a molecular weight of 231.27 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate is sourced from PubChem (CID 105366099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).