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

C17H26FNO2Si — CID 141450737

IUPAC[3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone
SMILESCC(C)(C)[Si](C)(C)OCC1CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C17H26FNO2Si/c1-17(2,3)22(4,5)21-12-13-10-19(11-13)16(20)14-8-6-7-9-15(14)18/h6-9,13H,10-12H2,1-5H3
InChIKeyJQAPIORPUNLFRG-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.92
Rot. Bonds4

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

[3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 141450737) has the molecular formula C17H26FNO2Si and a molecular weight of 323.48 g/mol. Its IUPAC name is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID141450737
Molecular FormulaC17H26FNO2Si
Molecular Weight323.48 g/mol
Exact Mass323.17
IUPAC Name[3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone
SMILESCC(C)(C)[Si](C)(C)OCC1CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C17H26FNO2Si/c1-17(2,3)22(4,5)21-12-13-10-19(11-13)16(20)14-8-6-7-9-15(14)18/h6-9,13H,10-12H2,1-5H3
InChIKeyJQAPIORPUNLFRG-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.92
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

N-butyl-N-ethyl-2-fluorobenzamide
CID 2164029
N,N-diethyl-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
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N-butyl-N-ethyl-4-fluorobenzamide
CID 2290498
N,N-diethyl-4-fluorobenzamide
CID 3710899
N,N-dibutyl-2-fluorobenzamide
CID 532808
Benzamide, 2-fluoro-N-ethyl-N-3-methylbutyl-
CID 91711943
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 896872
(3-Fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3235147
2,4-Difluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzamide
CID 91915470
3,4-difluoro-N-propyl-N-(tetrahydro-3-furanylmethyl)benzamide
CID 91915480
N,N-Diethyl 2-fluorobenzamide
CID 669199

Frequently Asked Questions

What is the IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone (CID 141450737) is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone is CC(C)(C)[Si](C)(C)OCC1CN(C(=O)c2ccccc2F)C1.
What is the InChIKey of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is JQAPIORPUNLFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2Si/c1-17(2,3)22(4,5)21-12-13-10-19(11-13)16(20)14-8-6-7-9-15(14)18/h6-9,13H,10-12H2,1-5H3.
What are the key properties of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone?
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 323.48 g/mol, XLogP of 3.92, 4 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]oxymethyl]azetidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 141450737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).