2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid

C11H12FNO2 — CID 115059052

IUPAC2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid
SMILESO=C(O)CC1(c2cccc(F)c2)CCN1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-2-8(6-9)11(4-5-13-11)7-10(14)15/h1-3,6,13H,4-5,7H2,(H,14,15)
InChIKeyLSJHQMJIXOBXQS-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.49
Rot. Bonds3

About 2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid

2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid (PubChem CID 115059052) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid
PubChem CID115059052
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid
SMILESO=C(O)CC1(c2cccc(F)c2)CCN1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-2-8(6-9)11(4-5-13-11)7-10(14)15/h1-3,6,13H,4-5,7H2,(H,14,15)
InChIKeyLSJHQMJIXOBXQS-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid
CID 115059093
2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid
CID 115059058
2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 70487750
2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid
CID 83823159
2-[1-(3-fluorophenyl)cyclobutyl]acetamide
CID 121344932
[3-(3-fluorophenyl)morpholin-3-yl]methanol
CID 105464862
2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine
CID 115059371
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008380
2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid
CID 65497401
2-[1-[2-(3-fluorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004495

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid (CID 115059052) is 2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid is O=C(O)CC1(c2cccc(F)c2)CCN1.
What is the InChIKey of 2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid?
The InChIKey is LSJHQMJIXOBXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-3-1-2-8(6-9)11(4-5-13-11)7-10(14)15/h1-3,6,13H,4-5,7H2,(H,14,15).
What are the key properties of 2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid?
2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid has a molecular weight of 209.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid is sourced from PubChem (CID 115059052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).