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

C7H12FNO2 — CID 121201625

IUPAC3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CC(CF)C1
InChIInChI=1S/C7H12FNO2/c8-3-6-4-9(5-6)2-1-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyXNXXGVXUHJABBZ-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.36
Rot. Bonds4

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

3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid (PubChem CID 121201625) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid
PubChem CID121201625
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CC(CF)C1
InChIInChI=1S/C7H12FNO2/c8-3-6-4-9(5-6)2-1-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyXNXXGVXUHJABBZ-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

1-Methylazetidine-3-carboxylic acid
CID 20653078
1-(2-Methylpropyl)azetidine-3-carboxylic acid
CID 21935217
1-(2,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 64260693
Potassium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
CID 86775711
Sodium 1-(2-fluoroethyl)azetidine-3-carboxylate
CID 134498595
3-(Azetidin-1-yl)propanoic acid hydrochloride
CID 165605407
Lithium 1-(2,2-difluoroethyl)azetidine-3-carboxylate
CID 170912962
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-[3-(fluoromethyl)azetidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid (CID 121201625) is 3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid is O=C(O)CCN1CC(CF)C1.
What is the InChIKey of 3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid?
The InChIKey is XNXXGVXUHJABBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-3-6-4-9(5-6)2-1-7(10)11/h6H,1-5H2,(H,10,11).
What are the key properties of 3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid?
3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid has a molecular weight of 161.18 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(fluoromethyl)azetidin-1-yl]propanoic acid is sourced from PubChem (CID 121201625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).