tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane

C19H30FNOSi — CID 142588459

IUPACtert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CCC(c2cccc(F)c2)=N1
InChIInChI=1S/C19H30FNOSi/c1-18(2,3)23(6,7)22-19(4,5)17-12-11-16(21-17)14-9-8-10-15(20)13-14/h8-10,13,17H,11-12H2,1-7H3/t17-/m1/s1
InChIKeyXGNRNTVAPOTOLG-QGZVFWFLSA-N
MW335.54 g/mol
LogP5.58
Rot. Bonds4

About tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane

tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane (PubChem CID 142588459) has the molecular formula C19H30FNOSi and a molecular weight of 335.54 g/mol. Its IUPAC name is tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
PubChem CID142588459
Molecular FormulaC19H30FNOSi
Molecular Weight335.54 g/mol
Exact Mass335.21
IUPAC Nametert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CCC(c2cccc(F)c2)=N1
InChIInChI=1S/C19H30FNOSi/c1-18(2,3)23(6,7)22-19(4,5)17-12-11-16(21-17)14-9-8-10-15(20)13-14/h8-10,13,17H,11-12H2,1-7H3/t17-/m1/s1
InChIKeyXGNRNTVAPOTOLG-QGZVFWFLSA-N
XLogP5.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 55.58
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-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine
CID 58531187
(R)-3-(tert-butyldimethylsilyloxy)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 66847764
tert-butyl-[[5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
CID 66847765
tert-butyl-[[5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]oxy]-dimethylsilane
CID 68606885
2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
CID 141292480
tert-butyl-[2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588414
2-[(2R)-5-(2-bromo-4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane
CID 142588421
2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane
CID 142588433
2-[(2R)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588463
2-[(2R)-5-(2-bromo-5-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane
CID 142588469
tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588514
2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588525

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane (CID 142588459) is tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane is CC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CCC(c2cccc(F)c2)=N1.
What is the InChIKey of tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane?
The InChIKey is XGNRNTVAPOTOLG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30FNOSi/c1-18(2,3)23(6,7)22-19(4,5)17-12-11-16(21-17)14-9-8-10-15(20)13-14/h8-10,13,17H,11-12H2,1-7H3/t17-/m1/s1.
What are the key properties of tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane?
tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane has a molecular weight of 335.54 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane is sourced from PubChem (CID 142588459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).