tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane

C17H28FNOSi — CID 21341071

IUPACtert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H28FNOSi/c1-17(2,3)21(4,5)20-12-14-10-19-11-16(14)13-7-6-8-15(18)9-13/h6-9,14,16,19H,10-12H2,1-5H3/t14-,16-/m1/s1
InChIKeyQGYQAWTVDIEPPQ-GDBMZVCRSA-N
MW309.50 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane

tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane (PubChem CID 21341071) has the molecular formula C17H28FNOSi and a molecular weight of 309.50 g/mol. Its IUPAC name is tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
PubChem CID21341071
Molecular FormulaC17H28FNOSi
Molecular Weight309.50 g/mol
Exact Mass309.19
IUPAC Nametert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H28FNOSi/c1-17(2,3)21(4,5)20-12-14-10-19-11-16(14)13-7-6-8-15(18)9-13/h6-9,14,16,19H,10-12H2,1-5H3/t14-,16-/m1/s1
InChIKeyQGYQAWTVDIEPPQ-GDBMZVCRSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.15
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

rac-((3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl)methanol hydrochloride
CID 122163804
4-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)butan-1-amine
CID 18354478
4-[Tert-butyl(dimethyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 21697397
Tert-butyl-[[4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
CID 21912700
[(3S,4R)-4-(2,5-difluorophenyl)pyrrolidin-3-yl]methanol
CID 25220544
((3R,4S)-4-(3-Fluorophenyl)pyrrolidin-3-YL)methanol
CID 57355768
3-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine
CID 58548906
(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
(RS)-1-[(3RS,4SR)-4-(2,4-difluoro-phenyl)-pyrrolidin-3-yl]-ethanol
CID 66999146

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane (CID 21341071) is tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1cccc(F)c1.
What is the InChIKey of tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane?
The InChIKey is QGYQAWTVDIEPPQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H28FNOSi/c1-17(2,3)21(4,5)20-12-14-10-19-11-16(14)13-7-6-8-15(18)9-13/h6-9,14,16,19H,10-12H2,1-5H3/t14-,16-/m1/s1.
What are the key properties of tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane?
tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane has a molecular weight of 309.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 21341071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).