2-(3,3-difluoroazetidin-1-yl)acetic acid

C5H7F2NO2 — CID 89399883

IUPAC2-(3,3-difluoroazetidin-1-yl)acetic acid
SMILESO=C(O)CN1CC(F)(F)C1
InChIInChI=1S/C5H7F2NO2/c6-5(7)2-8(3-5)1-4(9)10/h1-3H2,(H,9,10)
InChIKeyFAVTXFFJYIRTRM-UHFFFAOYSA-N
MW151.11 g/mol
LogP0.02
Rot. Bonds2

About 2-(3,3-difluoroazetidin-1-yl)acetic acid

2-(3,3-difluoroazetidin-1-yl)acetic acid (PubChem CID 89399883) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)acetic acid
PubChem CID89399883
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name2-(3,3-difluoroazetidin-1-yl)acetic acid
SMILESO=C(O)CN1CC(F)(F)C1
InChIInChI=1S/C5H7F2NO2/c6-5(7)2-8(3-5)1-4(9)10/h1-3H2,(H,9,10)
InChIKeyFAVTXFFJYIRTRM-UHFFFAOYSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)acetic acid?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)acetic acid (CID 89399883) is 2-(3,3-difluoroazetidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)acetic acid?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)acetic acid is O=C(O)CN1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)acetic acid?
The InChIKey is FAVTXFFJYIRTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-5(7)2-8(3-5)1-4(9)10/h1-3H2,(H,9,10).
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)acetic acid?
2-(3,3-difluoroazetidin-1-yl)acetic acid has a molecular weight of 151.11 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)acetic acid is sourced from PubChem (CID 89399883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).