2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane

C17H26FNOSi — CID 141292480

IUPAC2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
SMILESCC(C)(C)C[Si](C)(C)O[C@H]1CN=C(c2cccc(F)c2)C1
InChIInChI=1S/C17H26FNOSi/c1-17(2,3)12-21(4,5)20-15-10-16(19-11-15)13-7-6-8-14(18)9-13/h6-9,15H,10-12H2,1-5H3/t15-/m1/s1
InChIKeyDMXUROQSHCEHDB-OAHLLOKOSA-N
MW307.48 g/mol
LogP4.65
Rot. Bonds4

About 2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane

2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane (PubChem CID 141292480) has the molecular formula C17H26FNOSi and a molecular weight of 307.48 g/mol. Its IUPAC name is 2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Name2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
PubChem CID141292480
Molecular FormulaC17H26FNOSi
Molecular Weight307.48 g/mol
Exact Mass307.18
IUPAC Name2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane
SMILESCC(C)(C)C[Si](C)(C)O[C@H]1CN=C(c2cccc(F)c2)C1
InChIInChI=1S/C17H26FNOSi/c1-17(2,3)12-21(4,5)20-15-10-16(19-11-15)13-7-6-8-14(18)9-13/h6-9,15H,10-12H2,1-5H3/t15-/m1/s1
InChIKeyDMXUROQSHCEHDB-OAHLLOKOSA-N
XLogP4.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.65
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
5-({[Tert-butyl(dimethyl)silyl]oxy}methyl)-3-[2-fluoro-4-(trimethylstannyl)phenyl]-4,5-dihydroisoxazole
CID 58653824
5-({[Tert-butyl(dimethyl)silyl]oxy}methyl)-3-[3-fluoro-4-(trimethylstannyl)phenyl]-4,5-dihydroisoxazole
CID 59749488
(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
tert-butyl-[2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588414
tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588459
tert-butyl-[2-[(2R)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588559
[2-(bromomethyl)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy-trimethylsilane
CID 85378709
tert-butyl-dimethyl-[[(2S)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]methoxy]silane
CID 135017340
tert-butyl-dimethyl-[[(3R)-5-phenyl-3,4-dihydro-2H-pyrrol-3-yl]oxy]silane
CID 11265828

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane?
The IUPAC name of 2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane (CID 141292480) is 2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for 2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane?
The canonical SMILES for 2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane is CC(C)(C)C[Si](C)(C)O[C@H]1CN=C(c2cccc(F)c2)C1.
What is the InChIKey of 2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane?
The InChIKey is DMXUROQSHCEHDB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26FNOSi/c1-17(2,3)12-21(4,5)20-15-10-16(19-11-15)13-7-6-8-14(18)9-13/h6-9,15H,10-12H2,1-5H3/t15-/m1/s1.
What are the key properties of 2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane?
2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane has a molecular weight of 307.48 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-[[(3R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 141292480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).