2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid

C7H12FNO2 — CID 121215383

IUPAC2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CC(CF)C1
InChIInChI=1S/C7H12FNO2/c1-5(7(10)11)9-3-6(2-8)4-9/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyFSHGKKYZZCVVHG-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.36
Rot. Bonds3

About 2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid

2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid (PubChem CID 121215383) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid
PubChem CID121215383
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CC(CF)C1
InChIInChI=1S/C7H12FNO2/c1-5(7(10)11)9-3-6(2-8)4-9/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyFSHGKKYZZCVVHG-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(fluoromethyl)azetidin-1-yl]propanoic 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-[3-(fluoromethyl)azetidin-1-yl]propanoic acid?
The IUPAC name of 2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid (CID 121215383) is 2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid is CC(C(=O)O)N1CC(CF)C1.
What is the InChIKey of 2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid?
The InChIKey is FSHGKKYZZCVVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-5(7(10)11)9-3-6(2-8)4-9/h5-6H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid?
2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid has a molecular weight of 161.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)azetidin-1-yl]propanoic acid is sourced from PubChem (CID 121215383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).