3-(1-fluoroethyl)azetidine-3-carboxylic acid

C6H10FNO2 — CID 105429000

IUPAC3-(1-fluoroethyl)azetidine-3-carboxylic acid
SMILESCC(F)C1(C(=O)O)CNC1
InChIInChI=1S/C6H10FNO2/c1-4(7)6(5(9)10)2-8-3-6/h4,8H,2-3H2,1H3,(H,9,10)
InChIKeyATGBHNRGOHZAKO-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.02
Rot. Bonds2

About 3-(1-fluoroethyl)azetidine-3-carboxylic acid

3-(1-fluoroethyl)azetidine-3-carboxylic acid (PubChem CID 105429000) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 3-(1-fluoroethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(1-fluoroethyl)azetidine-3-carboxylic acid
PubChem CID105429000
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name3-(1-fluoroethyl)azetidine-3-carboxylic acid
SMILESCC(F)C1(C(=O)O)CNC1
InChIInChI=1S/C6H10FNO2/c1-4(7)6(5(9)10)2-8-3-6/h4,8H,2-3H2,1H3,(H,9,10)
InChIKeyATGBHNRGOHZAKO-UHFFFAOYSA-N
XLogP0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1-fluoroethyl)azetidine-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

3-Methylazetidine-3-carboxylic acid
CID 55303419
3-(Fluoromethyl)azetidine-3-carboxylic acid
CID 68032229
Methyl 3-ethylazetidine-3-carboxylate
CID 130905049
2-(Aminomethyl)-3-fluoro-2-methylbutanoic acid
CID 105429305
2-(Aminomethyl)-2-(fluoromethyl)butanoic acid
CID 105429306
3-(2-Fluoropropan-2-yl)azetidine-3-carboxylic acid
CID 105431553
3-(1,1-Difluoroethyl)azetidine-3-carboxylic acid
CID 105432551
2-(3-Fluoroazetidin-3-yl)acetic acid
CID 115011263
3-(2,2-Difluoroethyl)azetidine-3-carboxylic acid
CID 115012999
3-(2,2-Difluoropropyl)azetidine-3-carboxylic acid
CID 115015301
3-(2,2-Difluoroethyl)-1-methylazetidine-3-carboxylic acid
CID 115015302
3-(2,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 130680367

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-(1-fluoroethyl)azetidine-3-carboxylic acid (CID 105429000) is 3-(1-fluoroethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(1-fluoroethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(1-fluoroethyl)azetidine-3-carboxylic acid is CC(F)C1(C(=O)O)CNC1.
What is the InChIKey of 3-(1-fluoroethyl)azetidine-3-carboxylic acid?
The InChIKey is ATGBHNRGOHZAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-4(7)6(5(9)10)2-8-3-6/h4,8H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-(1-fluoroethyl)azetidine-3-carboxylic acid?
3-(1-fluoroethyl)azetidine-3-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 105429000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).