(3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one

C18H28FNO2Si — CID 11325211

IUPAC(3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(Cc2ccccc2)C1F
InChIInChI=1S/C18H28FNO2Si/c1-13(22-23(5,6)18(2,3)4)15-16(19)20(17(15)21)12-14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3/t13-,15-,16?/m1/s1
InChIKeyJCCXZIVHLZWBCK-CWSLVUQWSA-N
MW337.51 g/mol
LogP4.35
Rot. Bonds5

About (3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one

(3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one (PubChem CID 11325211) has the molecular formula C18H28FNO2Si and a molecular weight of 337.51 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one
PubChem CID11325211
Molecular FormulaC18H28FNO2Si
Molecular Weight337.51 g/mol
Exact Mass337.19
IUPAC Name(3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(Cc2ccccc2)C1F
InChIInChI=1S/C18H28FNO2Si/c1-13(22-23(5,6)18(2,3)4)15-16(19)20(17(15)21)12-14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3/t13-,15-,16?/m1/s1
InChIKeyJCCXZIVHLZWBCK-CWSLVUQWSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)azetidin-2-one
CID 135070889
(3R,4S)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)azetidin-2-one
CID 135070890
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-2-one
CID 102015004
N-benzyl-3-trimethylsilyloxybutanamide
CID 135070164
1-Benzyl-4-trimethylsilylazetidin-2-one
CID 10263412
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylazetidin-2-one
CID 59089983
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 59089990
[(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate
CID 70416266
1-[(3-Fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde
CID 88873597
1-Benzyl-4-fluoro-3-[1-(methoxymethoxy)ethyl]azetidin-2-one
CID 139699938
[3-[[Tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone
CID 141450737
[3-[Tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone
CID 141450739

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one?
The IUPAC name of (3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one (CID 11325211) is (3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one?
The canonical SMILES for (3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(Cc2ccccc2)C1F.
What is the InChIKey of (3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one?
The InChIKey is JCCXZIVHLZWBCK-CWSLVUQWSA-N. The full InChI is InChI=1S/C18H28FNO2Si/c1-13(22-23(5,6)18(2,3)4)15-16(19)20(17(15)21)12-14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3/t13-,15-,16?/m1/s1.
What are the key properties of (3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one?
(3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one has a molecular weight of 337.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoroazetidin-2-one is sourced from PubChem (CID 11325211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).