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

C18H34F2N2O4Si — CID 68948483

IUPACtert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate
SMILESCC(C)[Si](O[C@H]1C(=O)N(NC(=O)OC(C)(C)C)[C@H]1C(F)F)(C(C)C)C(C)C
InChIInChI=1S/C18H34F2N2O4Si/c1-10(2)27(11(3)4,12(5)6)26-14-13(15(19)20)22(16(14)23)21-17(24)25-18(7,8)9/h10-15H,1-9H3,(H,21,24)/t13-,14-/m1/s1
InChIKeyAOCBVAPCHVBQTD-ZIAGYGMSSA-N
MW408.56 g/mol
LogP4.46
Rot. Bonds7

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

tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate (PubChem CID 68948483) has the molecular formula C18H34F2N2O4Si and a molecular weight of 408.56 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate
PubChem CID68948483
Molecular FormulaC18H34F2N2O4Si
Molecular Weight408.56 g/mol
Exact Mass408.23
IUPAC Nametert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate
SMILESCC(C)[Si](O[C@H]1C(=O)N(NC(=O)OC(C)(C)C)[C@H]1C(F)F)(C(C)C)C(C)C
InChIInChI=1S/C18H34F2N2O4Si/c1-10(2)27(11(3)4,12(5)6)26-14-13(15(19)20)22(16(14)23)21-17(24)25-18(7,8)9/h10-15H,1-9H3,(H,21,24)/t13-,14-/m1/s1
InChIKeyAOCBVAPCHVBQTD-ZIAGYGMSSA-N
XLogP4.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate
CID 68945135
tert-butyl N-[(E)-6-[(2S,3R)-2-(2-methylprop-1-enyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]-6-oxohex-4-enyl]carbamate
CID 175927737
tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate
CID 130003614
methyl (2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidine-2-carboxylate
CID 101237918
tert-butyl N-[(1S)-1-[2-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate
CID 166163893
tert-butyl N-[(1R,3S,4S)-3-formyl-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
CID 140753713
tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate
CID 123710805
tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate
CID 24977249
tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate
CID 57152882
tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
CID 131745477
tert-butyl N-[(4S)-4-[[(1S)-1-cyclopropylethyl]carbamoyl]-2-oxopyrrolidin-1-yl]carbamate
CID 95636312
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid
CID 156663033

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate (CID 68948483) is tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate is CC(C)[Si](O[C@H]1C(=O)N(NC(=O)OC(C)(C)C)[C@H]1C(F)F)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate?
The InChIKey is AOCBVAPCHVBQTD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H34F2N2O4Si/c1-10(2)27(11(3)4,12(5)6)26-14-13(15(19)20)22(16(14)23)21-17(24)25-18(7,8)9/h10-15H,1-9H3,(H,21,24)/t13-,14-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate?
tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate has a molecular weight of 408.56 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate is sourced from PubChem (CID 68948483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).