2-(azetidin-2-yl)-3-fluorobenzoic acid

C10H10FNO2 — CID 55297953

IUPAC2-(azetidin-2-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1C1CCN1
InChIInChI=1S/C10H10FNO2/c11-7-3-1-2-6(10(13)14)9(7)8-4-5-12-8/h1-3,8,12H,4-5H2,(H,13,14)
InChIKeyALENHEMSBWXLHL-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.56
Rot. Bonds2

About 2-(azetidin-2-yl)-3-fluorobenzoic acid

2-(azetidin-2-yl)-3-fluorobenzoic acid (PubChem CID 55297953) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(azetidin-2-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(azetidin-2-yl)-3-fluorobenzoic acid
PubChem CID55297953
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-(azetidin-2-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1C1CCN1
InChIInChI=1S/C10H10FNO2/c11-7-3-1-2-6(10(13)14)9(7)8-4-5-12-8/h1-3,8,12H,4-5H2,(H,13,14)
InChIKeyALENHEMSBWXLHL-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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Related Compounds

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CID 154430314
(2R)-2-(2-bromo-6-fluorophenyl)azetidine;hydrochloride
CID 171197230
2-[(2R)-azetidin-2-yl]-4-bromo-3-hydroxybenzoic acid
CID 131498459
2-(1-benzylpiperidin-4-yl)-3-fluorobenzoic acid;2-fluorobenzoic acid
CID 67635602
2-(2-fluoro-6-methoxyphenyl)azetidine
CID 55282434
2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid
CID 55275995
2-(azetidin-2-yl)-4-fluorobenzoic acid
CID 55297261
bis(2-cyclopropyl-3-fluorophenyl)methanone
CID 73011767
2-[(2S)-azetidin-2-yl]-6-fluorophenol
CID 55278704
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid
CID 130744353

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-2-yl)-3-fluorobenzoic acid?
The IUPAC name of 2-(azetidin-2-yl)-3-fluorobenzoic acid (CID 55297953) is 2-(azetidin-2-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(azetidin-2-yl)-3-fluorobenzoic acid?
The canonical SMILES for 2-(azetidin-2-yl)-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1C1CCN1.
What is the InChIKey of 2-(azetidin-2-yl)-3-fluorobenzoic acid?
The InChIKey is ALENHEMSBWXLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-7-3-1-2-6(10(13)14)9(7)8-4-5-12-8/h1-3,8,12H,4-5H2,(H,13,14).
What are the key properties of 2-(azetidin-2-yl)-3-fluorobenzoic acid?
2-(azetidin-2-yl)-3-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)-3-fluorobenzoic acid is sourced from PubChem (CID 55297953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).