4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

C14H27F2NO2Si — CID 68944765

IUPAC4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](OC1C(=O)NC1C(C)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C14H27F2NO2Si/c1-8(2)20(9(3)4,10(5)6)19-11-12(14(7,15)16)17-13(11)18/h8-12H,1-7H3,(H,17,18)
InChIKeyCZEQQZFPDQOSTA-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.70
Rot. Bonds6

About 4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 68944765) has the molecular formula C14H27F2NO2Si and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID68944765
Molecular FormulaC14H27F2NO2Si
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](OC1C(=O)NC1C(C)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C14H27F2NO2Si/c1-8(2)20(9(3)4,10(5)6)19-11-12(14(7,15)16)17-13(11)18/h8-12H,1-7H3,(H,17,18)
InChIKeyCZEQQZFPDQOSTA-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.70
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 4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of 4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 68944765) is 4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for 4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for 4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is CC(C)[Si](OC1C(=O)NC1C(C)(F)F)(C(C)C)C(C)C.
What is the InChIKey of 4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is CZEQQZFPDQOSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO2Si/c1-8(2)20(9(3)4,10(5)6)19-11-12(14(7,15)16)17-13(11)18/h8-12H,1-7H3,(H,17,18).
What are the key properties of 4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 307.46 g/mol, XLogP of 3.70, 6 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-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 68944765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).