tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane

C16H26FNOSi — CID 66689839

IUPACtert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C16H26FNOSi/c1-16(2,3)20(4,5)19-14-10-15(18-11-14)12-7-6-8-13(17)9-12/h6-9,14-15,18H,10-11H2,1-5H3/t14-,15+/m1/s1
InChIKeyDOIQVVDKMDWGJA-CABCVRRESA-N
MW295.47 g/mol
LogP4.25
Rot. Bonds3

About tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane (PubChem CID 66689839) has the molecular formula C16H26FNOSi and a molecular weight of 295.47 g/mol. Its IUPAC name is tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
PubChem CID66689839
Molecular FormulaC16H26FNOSi
Molecular Weight295.47 g/mol
Exact Mass295.18
IUPAC Nametert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C16H26FNOSi/c1-16(2,3)20(4,5)19-14-10-15(18-11-14)12-7-6-8-13(17)9-12/h6-9,14-15,18H,10-11H2,1-5H3/t14-,15+/m1/s1
InChIKeyDOIQVVDKMDWGJA-CABCVRRESA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 91662985
5-(3,4-Difluorophenyl)pyrrolidin-3-ol
CID 64157226
5-(4-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 71757334
5-(3,4-Difluorophenyl)pyrrolidin-3-ol hydrochloride
CID 71757468
(S)-2-((tert-Butyldimethylsilyl)oxy)-N-((R)-1-(4-fluorophenyl)ethyl)penta-1,4-dien-3-amine
CID 134813839
(S,Z)-N-Benzyl-4-((tert-butyldimethylsilyl)oxy)-9-fluoronona-1,4-dien-3-amine
CID 134813866
[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010273
5-(2,5-Difluorophenyl)pyrrolidin-3-ol
CID 64160096
n-(2,4-Difluorophenylmethyl)-n-[dimethyl(t-butyldimethylsiloxymethyl)methyl]amine
CID 21255688
3-(r)-t-Butyldimethylsilyloxymethyl-4-(s)-(3-fluorophenyl)pyrrolidine
CID 21341071
Tert-butyl-[[4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
CID 21912700
2-(3-Fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine
CID 58334510

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane (CID 66689839) is tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](c2cccc(F)c2)C1.
What is the InChIKey of tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The InChIKey is DOIQVVDKMDWGJA-CABCVRRESA-N. The full InChI is InChI=1S/C16H26FNOSi/c1-16(2,3)20(4,5)19-14-10-15(18-11-14)12-7-6-8-13(17)9-12/h6-9,14-15,18H,10-11H2,1-5H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane has a molecular weight of 295.47 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 66689839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).