2-(3-fluoroazetidin-1-yl)benzoic acid

C10H10FNO2 — CID 105448715

IUPAC2-(3-fluoroazetidin-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1CC(F)C1
InChIInChI=1S/C10H10FNO2/c11-7-5-12(6-7)9-4-2-1-3-8(9)10(13)14/h1-4,7H,5-6H2,(H,13,14)
InChIKeyKCODSUOYZYULSV-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.54
Rot. Bonds2

About 2-(3-fluoroazetidin-1-yl)benzoic acid

2-(3-fluoroazetidin-1-yl)benzoic acid (PubChem CID 105448715) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(3-fluoroazetidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(3-fluoroazetidin-1-yl)benzoic acid
PubChem CID105448715
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-(3-fluoroazetidin-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1CC(F)C1
InChIInChI=1S/C10H10FNO2/c11-7-5-12(6-7)9-4-2-1-3-8(9)10(13)14/h1-4,7H,5-6H2,(H,13,14)
InChIKeyKCODSUOYZYULSV-UHFFFAOYSA-N
XLogP1.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 83819594
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
1-(2-carboxyphenyl)piperidine-3-carboxylic acid
CID 82537818
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]benzoic acid
CID 129494363
2-[(3S)-3-methylpiperazin-1-yl]benzoic acid
CID 45073200
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
2-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 28802166
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
CID 102958633
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
2-(2-bromomorpholin-4-yl)benzoic acid
CID 175327642
2-[(3S)-3-[(1S)-1-hydroxyethyl]pyrrolidin-1-yl]benzoic acid
CID 129393692
2-chloro-3-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]benzoic acid
CID 163206835

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroazetidin-1-yl)benzoic acid?
The IUPAC name of 2-(3-fluoroazetidin-1-yl)benzoic acid (CID 105448715) is 2-(3-fluoroazetidin-1-yl)benzoic acid.
What is the SMILES notation for 2-(3-fluoroazetidin-1-yl)benzoic acid?
The canonical SMILES for 2-(3-fluoroazetidin-1-yl)benzoic acid is O=C(O)c1ccccc1N1CC(F)C1.
What is the InChIKey of 2-(3-fluoroazetidin-1-yl)benzoic acid?
The InChIKey is KCODSUOYZYULSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-7-5-12(6-7)9-4-2-1-3-8(9)10(13)14/h1-4,7H,5-6H2,(H,13,14).
What are the key properties of 2-(3-fluoroazetidin-1-yl)benzoic acid?
2-(3-fluoroazetidin-1-yl)benzoic acid has a molecular weight of 195.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroazetidin-1-yl)benzoic acid is sourced from PubChem (CID 105448715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).