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

C17H26FNO2Si — CID 141450730

IUPAC[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C17H26FNO2Si/c1-17(2,3)22(4,5)21-13-10-11-19(12-13)16(20)14-8-6-7-9-15(14)18/h6-9,13H,10-12H2,1-5H3
InChIKeyZOCAILMRAVVMJW-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.06
Rot. Bonds3

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

[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 141450730) has the molecular formula C17H26FNO2Si and a molecular weight of 323.48 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID141450730
Molecular FormulaC17H26FNO2Si
Molecular Weight323.48 g/mol
Exact Mass323.17
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone
SMILESCC(C)(C)[Si](C)(C)OC1CCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C17H26FNO2Si/c1-17(2,3)22(4,5)21-13-10-11-19(12-13)16(20)14-8-6-7-9-15(14)18/h6-9,13H,10-12H2,1-5H3
InChIKeyZOCAILMRAVVMJW-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.06
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,N-bis(2-hydroxypropyl)benzamide
CID 11470407
US10214537, Example 153
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(3S)-1-Benzoylpyrrolidin-3-OL
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(3R)-1-benzoylpyrrolidin-3-ol
CID 15669418
1-(2-Fluoro-4-methylbenzoyl)-3-(methoxymethyl)pyrrolidine
CID 50969516
(3-fluorophenyl)-[(6R)-6-methoxy-1,4-oxazepan-4-yl]methanone
CID 75367685
(4-fluorophenyl)-[(6R)-6-methoxy-1,4-oxazepan-4-yl]methanone
CID 75367686
8-(4-Fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97385453
(3-(Cyclopropylmethoxy)pyrrolidin-1-yl)(4-fluorophenyl)methanone
CID 110196272
[3-[[(4-Fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-phenylmethanone
CID 118740417
(2,6-Dimethylmorpholino)(3-fluorophenyl)methanone
CID 2916503
N,N-diethyl-3-fluoro-2-trimethylsilylbenzamide
CID 14901667

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone (CID 141450730) is [3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone is CC(C)(C)[Si](C)(C)OC1CCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is ZOCAILMRAVVMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2Si/c1-17(2,3)22(4,5)21-13-10-11-19(12-13)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]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone?
[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 323.48 g/mol, XLogP of 4.06, 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]oxypyrrolidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 141450730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).