tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane

C19H32FNO2Si — CID 171837871

IUPACtert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CN(CCOCc2ccccc2)CC1F
InChIInChI=1S/C19H32FNO2Si/c1-19(2,3)24(4,5)23-18-14-21(13-17(18)20)11-12-22-15-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3
InChIKeyYTLGFYVNVCJIAT-UHFFFAOYSA-N
MW353.55 g/mol
LogP4.25
Rot. Bonds7

About tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane

tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane (PubChem CID 171837871) has the molecular formula C19H32FNO2Si and a molecular weight of 353.55 g/mol. Its IUPAC name is tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane
PubChem CID171837871
Molecular FormulaC19H32FNO2Si
Molecular Weight353.55 g/mol
Exact Mass353.22
IUPAC Nametert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CN(CCOCc2ccccc2)CC1F
InChIInChI=1S/C19H32FNO2Si/c1-19(2,3)24(4,5)23-18-14-21(13-17(18)20)11-12-22-15-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3
InChIKeyYTLGFYVNVCJIAT-UHFFFAOYSA-N
XLogP4.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide
CID 90005050
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol
CID 68839728
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
CID 11382951
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
tert-butyl-[[(8R,9S,10S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.6]dodecan-11-yl]oxy]-dimethylsilane
CID 11319886
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylmethoxycyclohexyl]oxy-dimethylsilane
CID 67591786
(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one
CID 11236060
(3R,4R)-1-benzyl-3-fluoro-4-methoxypyrrolidine
CID 140566210

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane (CID 171837871) is tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CN(CCOCc2ccccc2)CC1F.
What is the InChIKey of tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The InChIKey is YTLGFYVNVCJIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FNO2Si/c1-19(2,3)24(4,5)23-18-14-21(13-17(18)20)11-12-22-15-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3.
What are the key properties of tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane?
tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane has a molecular weight of 353.55 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 171837871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).