3-(azetidin-1-yl)-2,2-difluoropropanoic acid

C6H9F2NO2 — CID 84652004

IUPAC3-(azetidin-1-yl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CN1CCC1
InChIInChI=1S/C6H9F2NO2/c7-6(8,5(10)11)4-9-2-1-3-9/h1-4H2,(H,10,11)
InChIKeyYMOVWEJKTRDZTL-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.41
Rot. Bonds3

About 3-(azetidin-1-yl)-2,2-difluoropropanoic acid

3-(azetidin-1-yl)-2,2-difluoropropanoic acid (PubChem CID 84652004) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(azetidin-1-yl)-2,2-difluoropropanoic acid
PubChem CID84652004
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name3-(azetidin-1-yl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CN1CCC1
InChIInChI=1S/C6H9F2NO2/c7-6(8,5(10)11)4-9-2-1-3-9/h1-4H2,(H,10,11)
InChIKeyYMOVWEJKTRDZTL-UHFFFAOYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(azetidin-1-yl)-2,2-difluoropropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 64260693
Potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
CID 86775711
3-(Azetidin-1-yl)propanoic acid hydrochloride
CID 165605407
3-[Bis(trifluoromethyl)amino] propionic acid
CID 57920862
3-(Dimethylamino)-2,2-difluoropropanoic acid hydrochloride
CID 155821089
Lithium(1+) 1-(2,2-difluoroethyl)azetidine-3-carboxylate
CID 170912962
3-[Methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60892343
1-(2,2-Difluoroethyl)azetidine-3-carboxylic acid
CID 64258950
1-(3,3,3-Trifluoropropyl)azetidine-3-carboxylic acid
CID 64566941
3-Fluoro-1-methylazetidine-3-carboxylic acid
CID 67111588
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)azetidine-3-carboxylic acid
CID 67321115
1-(1,1,1-Trifluoropropan-2-yl)azetidine-3-carboxylic acid
CID 67322346

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(azetidin-1-yl)-2,2-difluoropropanoic acid (CID 84652004) is 3-(azetidin-1-yl)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(azetidin-1-yl)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(azetidin-1-yl)-2,2-difluoropropanoic acid is O=C(O)C(F)(F)CN1CCC1.
What is the InChIKey of 3-(azetidin-1-yl)-2,2-difluoropropanoic acid?
The InChIKey is YMOVWEJKTRDZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8,5(10)11)4-9-2-1-3-9/h1-4H2,(H,10,11).
What are the key properties of 3-(azetidin-1-yl)-2,2-difluoropropanoic acid?
3-(azetidin-1-yl)-2,2-difluoropropanoic acid has a molecular weight of 165.14 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-2,2-difluoropropanoic acid is sourced from PubChem (CID 84652004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).