tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane

C20H34FNOSi — CID 141039550

IUPACtert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CCC1CCCN1)Cc1cccc(F)c1
InChIInChI=1S/C20H34FNOSi/c1-20(2,3)24(4,5)23-19(12-11-18-10-7-13-22-18)15-16-8-6-9-17(21)14-16/h6,8-9,14,18-19,22H,7,10-13,15H2,1-5H3
InChIKeyAVRXKIOXZGUKFS-UHFFFAOYSA-N
MW351.58 g/mol
LogP5.29
Rot. Bonds7

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

tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane (PubChem CID 141039550) has the molecular formula C20H34FNOSi and a molecular weight of 351.58 g/mol. Its IUPAC name is tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane
PubChem CID141039550
Molecular FormulaC20H34FNOSi
Molecular Weight351.58 g/mol
Exact Mass351.24
IUPAC Nametert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CCC1CCCN1)Cc1cccc(F)c1
InChIInChI=1S/C20H34FNOSi/c1-20(2,3)24(4,5)23-19(12-11-18-10-7-13-22-18)15-16-8-6-9-17(21)14-16/h6,8-9,14,18-19,22H,7,10-13,15H2,1-5H3
InChIKeyAVRXKIOXZGUKFS-UHFFFAOYSA-N
XLogP5.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.29
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

(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)cyclopentan-1-amine
CID 102251714
5-[3-(Tert-butyldimethyl-silanyloxy)-4-(3-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 12970095
3-(r)-t-Butyldimethylsilyloxymethyl-4-(s)-(3-fluorophenyl)pyrrolidine
CID 21341071
Tert-butyl-[[4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
CID 21912700
5-[3-(Tert-butyl-dimethyl-silanyloxy)4-(4-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 22712520
(5S)-5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-4-phenylbutyl]pyrrolidin-2-one
CID 60043929
(2R,4R)-4-(tert-butyldimethylsilyloxy)-2-(3-fluorophenyl)pyrrolidine
CID 66684536
tert-butyl-[(3R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66685016
tert-butyl-[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66689125
tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66689839
(3S)-2-(3-fluorophenyl)-3-(triisopropylsilyloxy)pyrrolidine
CID 67308441
tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
CID 68912480

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane (CID 141039550) is tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC(CCC1CCCN1)Cc1cccc(F)c1.
What is the InChIKey of tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane?
The InChIKey is AVRXKIOXZGUKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34FNOSi/c1-20(2,3)24(4,5)23-19(12-11-18-10-7-13-22-18)15-16-8-6-9-17(21)14-16/h6,8-9,14,18-19,22H,7,10-13,15H2,1-5H3.
What are the key properties of tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane?
tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane has a molecular weight of 351.58 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(3-fluorophenyl)-4-pyrrolidin-2-ylbutan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 141039550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).