4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

C18H28FNO2Si — CID 142636430

IUPAC4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](OC1C(=O)NC1c1ccc(F)cc1)(C(C)C)C(C)C
InChIInChI=1S/C18H28FNO2Si/c1-11(2)23(12(3)4,13(5)6)22-17-16(20-18(17)21)14-7-9-15(19)10-8-14/h7-13,16-17H,1-6H3,(H,20,21)
InChIKeyNJJYOEYRHGAYSW-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.56
Rot. Bonds6

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

4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 142636430) has the molecular formula C18H28FNO2Si and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID142636430
Molecular FormulaC18H28FNO2Si
Molecular Weight337.51 g/mol
Exact Mass337.19
IUPAC Name4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](OC1C(=O)NC1c1ccc(F)cc1)(C(C)C)C(C)C
InChIInChI=1S/C18H28FNO2Si/c1-11(2)23(12(3)4,13(5)6)22-17-16(20-18(17)21)14-7-9-15(19)10-8-14/h7-13,16-17H,1-6H3,(H,20,21)
InChIKeyNJJYOEYRHGAYSW-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.56
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)-3-Hydroxy-4-phenyl-2-azetidinone
CID 10219589
3-(Acetyloxy)-4-phenyl-2-azetidinone
CID 9794260
(3R-cis)-3-(acetyloxy)-4-phenyl-2-azetidinone
CID 10198157
(3R,4S)-1-Benzoyl-4-phenyl-3-[(triethylsilyl)oxy]-2-azetidinone
CID 10500068
(3S,4R)-2-Oxo-4-phenylazetidin-3-yl acetate
CID 11009062
(3R,4S)-tert-Butyl 2-oxo-4-phenyl-3-(triethylsilyloxy)azetidine-1-carboxylate
CID 15428307
(3R,4S)-3-methoxy-4-phenylazetidin-2-one
CID 42639931
Cis-3-hydroxy-4-phenylazetidin-2-one
CID 10219588
(3R,4S)-3-[(Triethylsilyl)oxy]-4-phenyl-2-azetidinone
CID 10826417
(3R,4S)-3-Triisopropylsilyloxy-4-phenyl-2-azetidinone
CID 10936090
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 14807861
3-Hydroxy-4-phenylazetidin-2-one
CID 14807868

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 142636430) is 4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is CC(C)[Si](OC1C(=O)NC1c1ccc(F)cc1)(C(C)C)C(C)C.
What is the InChIKey of 4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is NJJYOEYRHGAYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO2Si/c1-11(2)23(12(3)4,13(5)6)22-17-16(20-18(17)21)14-7-9-15(19)10-8-14/h7-13,16-17H,1-6H3,(H,20,21).
What are the key properties of 4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 337.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 142636430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).