2-(3,3-difluoroazetidin-1-yl)ethanol

C5H9F2NO — CID 118169775

IUPAC2-(3,3-difluoroazetidin-1-yl)ethanol
SMILESOCCN1CC(F)(F)C1
InChIInChI=1S/C5H9F2NO/c6-5(7)3-8(4-5)1-2-9/h9H,1-4H2
InChIKeyAQRJOZMYXFMCHQ-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.07
Rot. Bonds2

About 2-(3,3-difluoroazetidin-1-yl)ethanol

2-(3,3-difluoroazetidin-1-yl)ethanol (PubChem CID 118169775) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)ethanol
PubChem CID118169775
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name2-(3,3-difluoroazetidin-1-yl)ethanol
SMILESOCCN1CC(F)(F)C1
InChIInChI=1S/C5H9F2NO/c6-5(7)3-8(4-5)1-2-9/h9H,1-4H2
InChIKeyAQRJOZMYXFMCHQ-UHFFFAOYSA-N
XLogP-0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.07
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)ethanol?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)ethanol (CID 118169775) is 2-(3,3-difluoroazetidin-1-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)ethanol?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)ethanol is OCCN1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)ethanol?
The InChIKey is AQRJOZMYXFMCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)3-8(4-5)1-2-9/h9H,1-4H2.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)ethanol?
2-(3,3-difluoroazetidin-1-yl)ethanol has a molecular weight of 137.13 g/mol, XLogP of -0.07, 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)ethanol is sourced from PubChem (CID 118169775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).