2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid

C6H9F2NO2 — CID 176675906

IUPAC2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid
SMILESCC1N(CC(=O)O)CC1(F)F
InChIInChI=1S/C6H9F2NO2/c1-4-6(7,8)3-9(4)2-5(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyZOOQLYBCELOMSL-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.41
Rot. Bonds2

About 2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid

2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid (PubChem CID 176675906) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid
PubChem CID176675906
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid
SMILESCC1N(CC(=O)O)CC1(F)F
InChIInChI=1S/C6H9F2NO2/c1-4-6(7,8)3-9(4)2-5(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyZOOQLYBCELOMSL-UHFFFAOYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid?
The IUPAC name of 2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid (CID 176675906) is 2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid?
The canonical SMILES for 2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid is CC1N(CC(=O)O)CC1(F)F.
What is the InChIKey of 2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid?
The InChIKey is ZOOQLYBCELOMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-4-6(7,8)3-9(4)2-5(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid?
2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid has a molecular weight of 165.14 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-2-methylazetidin-1-yl)acetic acid is sourced from PubChem (CID 176675906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).