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

C12H13F2NO2 — CID 68945030

IUPAC4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one
SMILESCC(F)(F)C1NC(=O)C1OCc1ccccc1
InChIInChI=1S/C12H13F2NO2/c1-12(13,14)10-9(11(16)15-10)17-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,15,16)
InChIKeyDVKXKPMCYUCLKS-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.73
Rot. Bonds4

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

4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one (PubChem CID 68945030) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one
PubChem CID68945030
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one
SMILESCC(F)(F)C1NC(=O)C1OCc1ccccc1
InChIInChI=1S/C12H13F2NO2/c1-12(13,14)10-9(11(16)15-10)17-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,15,16)
InChIKeyDVKXKPMCYUCLKS-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one?
The IUPAC name of 4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one (CID 68945030) is 4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for 4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for 4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one is CC(F)(F)C1NC(=O)C1OCc1ccccc1.
What is the InChIKey of 4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one?
The InChIKey is DVKXKPMCYUCLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-12(13,14)10-9(11(16)15-10)17-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,15,16).
What are the key properties of 4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one?
4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one has a molecular weight of 241.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 68945030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).