(3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

C13H24F3NO2Si — CID 12986340

IUPAC(3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@H]1C(=O)N[C@H]1C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C13H24F3NO2Si/c1-7(2)20(8(3)4,9(5)6)19-10-11(13(14,15)16)17-12(10)18/h7-11H,1-6H3,(H,17,18)/t10-,11-/m1/s1
InChIKeyVQTXTMDQUBGGPD-GHMZBOCLSA-N
MW311.42 g/mol
LogP3.61
Rot. Bonds5

About (3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 12986340) has the molecular formula C13H24F3NO2Si and a molecular weight of 311.42 g/mol. Its IUPAC name is (3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID12986340
Molecular FormulaC13H24F3NO2Si
Molecular Weight311.42 g/mol
Exact Mass311.15
IUPAC Name(3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@H]1C(=O)N[C@H]1C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C13H24F3NO2Si/c1-7(2)20(8(3)4,9(5)6)19-10-11(13(14,15)16)17-12(10)18/h7-11H,1-6H3,(H,17,18)/t10-,11-/m1/s1
InChIKeyVQTXTMDQUBGGPD-GHMZBOCLSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3-methyl-3-triethylsilyloxy-4-(trifluoromethyl)azetidin-2-one
CID 11414884
(3R,4S)-4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57687769
(3R,4R)-4-(difluoromethyl)-3-methyl-3-triethylsilyloxyazetidin-2-one
CID 57784754
(3R,4R)-4-[(1S)-1-fluoroethyl]-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57784762
(3R,4R)-4-(1,1-difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57784782
(3R,4R)-4-(fluoromethyl)-3-methyl-3-triethylsilyloxyazetidin-2-one
CID 57784820
(3R,4R)-4-[(1R)-1,2-difluoroethyl]-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57784847
(3R,4R)-4-(Difluoromethyl)-3-[(triisopropylsilyl)oxy]-2-azetidinone
CID 57784871
(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethyl)-3-methylazetidin-2-one
CID 57784921
(3R,4R)-4-(Fluoromethyl)-3-[(triisopropylsilyl)oxy]-2-azetidinone
CID 57784942
4-(2,2-Difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 67317131
4-(1,1-Difluoroethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 68944765

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 12986340) is (3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is CC(C)[Si](O[C@H]1C(=O)N[C@H]1C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of (3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is VQTXTMDQUBGGPD-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24F3NO2Si/c1-7(2)20(8(3)4,9(5)6)19-10-11(13(14,15)16)17-12(10)18/h7-11H,1-6H3,(H,17,18)/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 311.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(trifluoromethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 12986340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).