tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane

C16H26FNOSi — CID 66689125

IUPACtert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCNC1c1cccc(F)c1
InChIInChI=1S/C16H26FNOSi/c1-16(2,3)20(4,5)19-14-9-10-18-15(14)12-7-6-8-13(17)11-12/h6-8,11,14-15,18H,9-10H2,1-5H3/t14-,15?/m0/s1
InChIKeyRYYZWDLBBXCKAE-MLCCFXAWSA-N
MW295.47 g/mol
LogP4.25
Rot. Bonds3

About tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane (PubChem CID 66689125) has the molecular formula C16H26FNOSi and a molecular weight of 295.47 g/mol. Its IUPAC name is tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
PubChem CID66689125
Molecular FormulaC16H26FNOSi
Molecular Weight295.47 g/mol
Exact Mass295.18
IUPAC Nametert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCNC1c1cccc(F)c1
InChIInChI=1S/C16H26FNOSi/c1-16(2,3)20(4,5)19-14-9-10-18-15(14)12-7-6-8-13(17)11-12/h6-8,11,14-15,18H,9-10H2,1-5H3/t14-,15?/m0/s1
InChIKeyRYYZWDLBBXCKAE-MLCCFXAWSA-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

(2R,3R,4R)-2-(4-fluorophenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168278968
(1R,2S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-N-methyl-1-phenylpropan-2-amine
CID 14572256
5-(3-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 91662985
(2S,3S,4S)-2-(4-fluorophenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168281492
5-(3,4-Difluorophenyl)pyrrolidin-3-ol
CID 64157226
5-(4-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 71757334
(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
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
CID 122223185
5-(2,5-Difluorophenyl)pyrrolidin-3-ol
CID 64160096
(1S,2S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-N-methyl-1-phenylpropan-2-amine
CID 165362224

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane (CID 66689125) is tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCNC1c1cccc(F)c1.
What is the InChIKey of tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The InChIKey is RYYZWDLBBXCKAE-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H26FNOSi/c1-16(2,3)20(4,5)19-14-9-10-18-15(14)12-7-6-8-13(17)11-12/h6-8,11,14-15,18H,9-10H2,1-5H3/t14-,15?/m0/s1.
What are the key properties of tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-2-(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-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 66689125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).