2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid

C11H12FNO2 — CID 118212098

IUPAC2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N2CC(F)C2)c1
InChIInChI=1S/C11H12FNO2/c12-9-6-13(7-9)10-3-1-2-8(4-10)5-11(14)15/h1-4,9H,5-7H2,(H,14,15)
InChIKeyBCRVLTVPGDQNDQ-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.47
Rot. Bonds3

About 2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid

2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid (PubChem CID 118212098) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid
PubChem CID118212098
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N2CC(F)C2)c1
InChIInChI=1S/C11H12FNO2/c12-9-6-13(7-9)10-3-1-2-8(4-10)5-11(14)15/h1-4,9H,5-7H2,(H,14,15)
InChIKeyBCRVLTVPGDQNDQ-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid (CID 118212098) is 2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid is O=C(O)Cc1cccc(N2CC(F)C2)c1.
What is the InChIKey of 2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid?
The InChIKey is BCRVLTVPGDQNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-6-13(7-9)10-3-1-2-8(4-10)5-11(14)15/h1-4,9H,5-7H2,(H,14,15).
What are the key properties of 2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid?
2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid has a molecular weight of 209.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoroazetidin-1-yl)phenyl]acetic acid is sourced from PubChem (CID 118212098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).