2-(azetidin-2-yl)-4-fluorobenzoic acid

C10H10FNO2 — CID 55297261

IUPAC2-(azetidin-2-yl)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1C1CCN1
InChIInChI=1S/C10H10FNO2/c11-6-1-2-7(10(13)14)8(5-6)9-3-4-12-9/h1-2,5,9,12H,3-4H2,(H,13,14)
InChIKeyQQTSIOBPNAVOAE-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.56
Rot. Bonds2

About 2-(azetidin-2-yl)-4-fluorobenzoic acid

2-(azetidin-2-yl)-4-fluorobenzoic acid (PubChem CID 55297261) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(azetidin-2-yl)-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-(azetidin-2-yl)-4-fluorobenzoic acid
PubChem CID55297261
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-(azetidin-2-yl)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1C1CCN1
InChIInChI=1S/C10H10FNO2/c11-6-1-2-7(10(13)14)8(5-6)9-3-4-12-9/h1-2,5,9,12H,3-4H2,(H,13,14)
InChIKeyQQTSIOBPNAVOAE-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-2-yl)-4-fluorobenzoic acid?
The IUPAC name of 2-(azetidin-2-yl)-4-fluorobenzoic acid (CID 55297261) is 2-(azetidin-2-yl)-4-fluorobenzoic acid.
What is the SMILES notation for 2-(azetidin-2-yl)-4-fluorobenzoic acid?
The canonical SMILES for 2-(azetidin-2-yl)-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1C1CCN1.
What is the InChIKey of 2-(azetidin-2-yl)-4-fluorobenzoic acid?
The InChIKey is QQTSIOBPNAVOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-6-1-2-7(10(13)14)8(5-6)9-3-4-12-9/h1-2,5,9,12H,3-4H2,(H,13,14).
What are the key properties of 2-(azetidin-2-yl)-4-fluorobenzoic acid?
2-(azetidin-2-yl)-4-fluorobenzoic acid has a molecular weight of 195.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-2-yl)-4-fluorobenzoic acid is sourced from PubChem (CID 55297261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).