1-fluoroazetidine-3-carboxylic acid

C4H6FNO2 — CID 140774917

IUPAC1-fluoroazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(F)C1
InChIInChI=1S/C4H6FNO2/c5-6-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)
InChIKeyNAFFWAOFYGKZKJ-UHFFFAOYSA-N
MW119.09 g/mol
LogP-0.11
Rot. Bonds1

About 1-fluoroazetidine-3-carboxylic acid

1-fluoroazetidine-3-carboxylic acid (PubChem CID 140774917) has the molecular formula C4H6FNO2 and a molecular weight of 119.09 g/mol. Its IUPAC name is 1-fluoroazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-fluoroazetidine-3-carboxylic acid
PubChem CID140774917
Molecular FormulaC4H6FNO2
Molecular Weight119.09 g/mol
Exact Mass119.04
IUPAC Name1-fluoroazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(F)C1
InChIInChI=1S/C4H6FNO2/c5-6-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)
InChIKeyNAFFWAOFYGKZKJ-UHFFFAOYSA-N
XLogP-0.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.09
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 1-fluoroazetidine-3-carboxylic 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-Methylazetidine-3-carboxylic acid
CID 20653078
3-Fluoro-1-methylazetidine-3-carboxylic acid
CID 67111588
1-(2-Fluoroethyl)azetidine-3-carboxylic acid
CID 80695260
3-Fluoro-1-iodoazetidine-3-carboxylic acid
CID 166778702
1-(3-Fluoropropyl)azetidine-3-carboxylic acid
CID 81114366
3-(3-(Fluoromethyl)azetidin-1-yl)propanoic acid
CID 121201625
1-Phosphanylazetidine-3-carboxylic acid
CID 58494573
1-Propylazetidine-3-carboxylic acid
CID 59412167
Azanidacyclobutane-3-carboxylic acid;tungsten
CID 59424734
1-Ethyl-3-azetidinecarboxylic acid
CID 59678294
1-(Iodomethyl)azetidine-3-carboxylic acid
CID 68054426
1-Hydroxyazetidine-3-carboxylic acid
CID 69046100

Frequently Asked Questions

What is the IUPAC name of 1-fluoroazetidine-3-carboxylic acid?
The IUPAC name of 1-fluoroazetidine-3-carboxylic acid (CID 140774917) is 1-fluoroazetidine-3-carboxylic acid.
What is the SMILES notation for 1-fluoroazetidine-3-carboxylic acid?
The canonical SMILES for 1-fluoroazetidine-3-carboxylic acid is O=C(O)C1CN(F)C1.
What is the InChIKey of 1-fluoroazetidine-3-carboxylic acid?
The InChIKey is NAFFWAOFYGKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO2/c5-6-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8).
What are the key properties of 1-fluoroazetidine-3-carboxylic acid?
1-fluoroazetidine-3-carboxylic acid has a molecular weight of 119.09 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroazetidine-3-carboxylic acid is sourced from PubChem (CID 140774917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).