1-(2-fluorobenzoyl)azetidine-3-carboxylate

C11H9FNO3- — CID 7100057

IUPAC1-(2-fluorobenzoyl)azetidine-3-carboxylate
SMILESO=C([O-])C1CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C11H10FNO3/c12-9-4-2-1-3-8(9)10(14)13-5-7(6-13)11(15)16/h1-4,7H,5-6H2,(H,15,16)/p-1
InChIKeyBVIVMXWYIGFMSD-UHFFFAOYSA-M
MW222.20 g/mol
LogP-0.35
Rot. Bonds2

About 1-(2-fluorobenzoyl)azetidine-3-carboxylate

1-(2-fluorobenzoyl)azetidine-3-carboxylate (PubChem CID 7100057) has the molecular formula C11H9FNO3- and a molecular weight of 222.20 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)azetidine-3-carboxylate.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)azetidine-3-carboxylate
PubChem CID7100057
Molecular FormulaC11H9FNO3-
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name1-(2-fluorobenzoyl)azetidine-3-carboxylate
SMILESO=C([O-])C1CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C11H10FNO3/c12-9-4-2-1-3-8(9)10(14)13-5-7(6-13)11(15)16/h1-4,7H,5-6H2,(H,15,16)/p-1
InChIKeyBVIVMXWYIGFMSD-UHFFFAOYSA-M
XLogP-0.35
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
CID 63755092
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 124514443
1-(2-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228026
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 142266464
(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 110108209
(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 90608763
(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994800
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)azetidine-3-carboxylate?
The IUPAC name of 1-(2-fluorobenzoyl)azetidine-3-carboxylate (CID 7100057) is 1-(2-fluorobenzoyl)azetidine-3-carboxylate.
What is the SMILES notation for 1-(2-fluorobenzoyl)azetidine-3-carboxylate?
The canonical SMILES for 1-(2-fluorobenzoyl)azetidine-3-carboxylate is O=C([O-])C1CN(C(=O)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorobenzoyl)azetidine-3-carboxylate?
The InChIKey is BVIVMXWYIGFMSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10FNO3/c12-9-4-2-1-3-8(9)10(14)13-5-7(6-13)11(15)16/h1-4,7H,5-6H2,(H,15,16)/p-1.
What are the key properties of 1-(2-fluorobenzoyl)azetidine-3-carboxylate?
1-(2-fluorobenzoyl)azetidine-3-carboxylate has a molecular weight of 222.20 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)azetidine-3-carboxylate is sourced from PubChem (CID 7100057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).