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

C14H25F2NO2Si — CID 67317131

IUPAC4-(2,2-difluoroethenyl)-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/C14H25F2NO2Si/c1-8(2)20(9(3)4,10(5)6)19-13-11(7-12(15)16)17-14(13)18/h7-11,13H,1-6H3,(H,17,18)
InChIKeyXFLNHMNZMPVLMG-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.83
Rot. Bonds6

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

4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 67317131) has the molecular formula C14H25F2NO2Si and a molecular weight of 305.44 g/mol. Its IUPAC name is 4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID67317131
Molecular FormulaC14H25F2NO2Si
Molecular Weight305.44 g/mol
Exact Mass305.16
IUPAC Name4-(2,2-difluoroethenyl)-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/C14H25F2NO2Si/c1-8(2)20(9(3)4,10(5)6)19-13-11(7-12(15)16)17-14(13)18/h7-11,13H,1-6H3,(H,17,18)
InChIKeyXFLNHMNZMPVLMG-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 20638691
(1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one
CID 101073665
5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one
CID 86703131
(3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one
CID 15895657
propan-2-yl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate
CID 68945135
tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate
CID 68948483
(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 10990189
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 53254254
tert-butyl (2Z)-2-[2-methylidene-5-tri(propan-2-yl)silyloxycyclopentylidene]acetate
CID 11003077
(3S,4S)-3-methoxy-4-methylazetidin-2-one
CID 55302503
(2-oxo-4-propan-2-ylazetidin-3-yl) acetate
CID 22382233
(3R,6S)-9-hydroxy-1,11-dimethoxy-3-tri(propan-2-yl)silyloxy-1-azaspiro[5.5]undec-10-en-2-one
CID 134845497

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of 4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 67317131) is 4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for 4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for 4-(2,2-difluoroethenyl)-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-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is XFLNHMNZMPVLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2Si/c1-8(2)20(9(3)4,10(5)6)19-13-11(7-12(15)16)17-14(13)18/h7-11,13H,1-6H3,(H,17,18).
What are the key properties of 4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 305.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 67317131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).