3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one

C11H20F3NO2Si — CID 72952499

IUPAC3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one
SMILESCC[Si](CC)(CC)OC1(C)C(=O)NC1C(F)(F)F
InChIInChI=1S/C11H20F3NO2Si/c1-5-18(6-2,7-3)17-10(4)8(11(12,13)14)15-9(10)16/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyFQTGKPFTPMUGFZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.83
Rot. Bonds5

About 3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one

3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one (PubChem CID 72952499) has the molecular formula C11H20F3NO2Si and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one
PubChem CID72952499
Molecular FormulaC11H20F3NO2Si
Molecular Weight283.37 g/mol
Exact Mass283.12
IUPAC Name3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one
SMILESCC[Si](CC)(CC)OC1(C)C(=O)NC1C(F)(F)F
InChIInChI=1S/C11H20F3NO2Si/c1-5-18(6-2,7-3)17-10(4)8(11(12,13)14)15-9(10)16/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyFQTGKPFTPMUGFZ-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of 3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one (CID 72952499) is 3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for 3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for 3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one is CC[Si](CC)(CC)OC1(C)C(=O)NC1C(F)(F)F.
What is the InChIKey of 3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is FQTGKPFTPMUGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2Si/c1-5-18(6-2,7-3)17-10(4)8(11(12,13)14)15-9(10)16/h8H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one?
3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 283.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 72952499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).