[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone

C16H24FNO2Si — CID 141450739

IUPAC[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone
SMILESCC(C)(C)[Si](C)(C)OC1CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C16H24FNO2Si/c1-16(2,3)21(4,5)20-12-10-18(11-12)15(19)13-8-6-7-9-14(13)17/h6-9,12H,10-11H2,1-5H3
InChIKeyWPAHJDWIRZDRBB-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.67
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone

[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 141450739) has the molecular formula C16H24FNO2Si and a molecular weight of 309.46 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID141450739
Molecular FormulaC16H24FNO2Si
Molecular Weight309.46 g/mol
Exact Mass309.16
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone
SMILESCC(C)(C)[Si](C)(C)OC1CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C16H24FNO2Si/c1-16(2,3)21(4,5)20-12-10-18(11-12)15(19)13-8-6-7-9-14(13)17/h6-9,12H,10-11H2,1-5H3
InChIKeyWPAHJDWIRZDRBB-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Azd-2927
CID 57345449
1-Benzoylazetidin-3-ol
CID 20352194
N,N-bis(2-hydroxypropyl)benzamide
CID 11470407
4-(3-Methoxyazetidine-1-carbonyl)benzaldehyde
CID 155923758
(3R,4S)-1-Benzoyl-4-phenyl-3-[(triethylsilyl)oxy]-2-azetidinone
CID 10500068
(2,6-Dimethylmorpholino)(3-fluorophenyl)methanone
CID 2916503
Benzamide, N,N-dihexyl-2-fluoro-
CID 532810
Benzamide, N,N-dihexyl-4-fluoro-
CID 533009
Benzamide, N,N-dihexyl-3-fluoro-
CID 533092
Benzamide, 3-fluoro-N-butyl-N-pentyl-
CID 91711783
Benzamide, 3-fluoro-N-butyl-N-hexyl-
CID 91711784
Benzamide, 2-fluoro-N-ethyl-N-heptyl-
CID 91711941

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone (CID 141450739) is [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone is CC(C)(C)[Si](C)(C)OC1CN(C(=O)c2ccccc2F)C1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is WPAHJDWIRZDRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2Si/c1-16(2,3)21(4,5)20-12-10-18(11-12)15(19)13-8-6-7-9-14(13)17/h6-9,12H,10-11H2,1-5H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone?
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 309.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 141450739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).