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

C7H12FNO2 — CID 81114366

IUPAC1-(3-fluoropropyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(CCCF)C1
InChIInChI=1S/C7H12FNO2/c8-2-1-3-9-4-6(5-9)7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyBZQWKTOIFWKCFX-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.36
Rot. Bonds4

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

1-(3-fluoropropyl)azetidine-3-carboxylic acid (PubChem CID 81114366) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-(3-fluoropropyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)azetidine-3-carboxylic acid
PubChem CID81114366
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name1-(3-fluoropropyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(CCCF)C1
InChIInChI=1S/C7H12FNO2/c8-2-1-3-9-4-6(5-9)7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyBZQWKTOIFWKCFX-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+) 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 1-(3-fluoropropyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(3-fluoropropyl)azetidine-3-carboxylic acid (CID 81114366) is 1-(3-fluoropropyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropyl)azetidine-3-carboxylic acid is O=C(O)C1CN(CCCF)C1.
What is the InChIKey of 1-(3-fluoropropyl)azetidine-3-carboxylic acid?
The InChIKey is BZQWKTOIFWKCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-2-1-3-9-4-6(5-9)7(10)11/h6H,1-5H2,(H,10,11).
What are the key properties of 1-(3-fluoropropyl)azetidine-3-carboxylic acid?
1-(3-fluoropropyl)azetidine-3-carboxylic 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 1-(3-fluoropropyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 81114366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).