4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one

C5H7F2NO2 — CID 68940200

IUPAC4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
SMILESCC(F)(F)C1NC(=O)C1O
InChIInChI=1S/C5H7F2NO2/c1-5(6,7)3-2(9)4(10)8-3/h2-3,9H,1H3,(H,8,10)
InChIKeyUULOVAWCQHDYMO-UHFFFAOYSA-N
MW151.11 g/mol
LogP-0.50
Rot. Bonds1

About 4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one

4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one (PubChem CID 68940200) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
PubChem CID68940200
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
SMILESCC(F)(F)C1NC(=O)C1O
InChIInChI=1S/C5H7F2NO2/c1-5(6,7)3-2(9)4(10)8-3/h2-3,9H,1H3,(H,8,10)
InChIKeyUULOVAWCQHDYMO-UHFFFAOYSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one?
The IUPAC name of 4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one (CID 68940200) is 4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one.
What is the SMILES notation for 4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one?
The canonical SMILES for 4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one is CC(F)(F)C1NC(=O)C1O.
What is the InChIKey of 4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one?
The InChIKey is UULOVAWCQHDYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c1-5(6,7)3-2(9)4(10)8-3/h2-3,9H,1H3,(H,8,10).
What are the key properties of 4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one?
4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one has a molecular weight of 151.11 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one is sourced from PubChem (CID 68940200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).