propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate

C17H32F2N2O4Si — CID 68945135

IUPACpropan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate
SMILESCC(C)OC(=O)NN1C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C(F)F
InChIInChI=1S/C17H32F2N2O4Si/c1-9(2)24-17(23)20-21-13(15(18)19)14(16(21)22)25-26(10(3)4,11(5)6)12(7)8/h9-15H,1-8H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyVXPAEQYQHAKBEH-ZIAGYGMSSA-N
MW394.54 g/mol
LogP4.07
Rot. Bonds8

About propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate

propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate (PubChem CID 68945135) has the molecular formula C17H32F2N2O4Si and a molecular weight of 394.54 g/mol. Its IUPAC name is propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate
PubChem CID68945135
Molecular FormulaC17H32F2N2O4Si
Molecular Weight394.54 g/mol
Exact Mass394.21
IUPAC Namepropan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate
SMILESCC(C)OC(=O)NN1C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C(F)F
InChIInChI=1S/C17H32F2N2O4Si/c1-9(2)24-17(23)20-21-13(15(18)19)14(16(21)22)25-26(10(3)4,11(5)6)12(7)8/h9-15H,1-8H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyVXPAEQYQHAKBEH-ZIAGYGMSSA-N
XLogP4.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate (CID 68945135) is propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate is CC(C)OC(=O)NN1C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C(F)F.
What is the InChIKey of propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate?
The InChIKey is VXPAEQYQHAKBEH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H32F2N2O4Si/c1-9(2)24-17(23)20-21-13(15(18)19)14(16(21)22)25-26(10(3)4,11(5)6)12(7)8/h9-15H,1-8H3,(H,20,23)/t13-,14-/m1/s1.
What are the key properties of propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate?
propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate has a molecular weight of 394.54 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate is sourced from PubChem (CID 68945135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).