tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane

C24H31F2NOSi — CID 156645446

IUPACtert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC1C(F)CN2CC(F)CC12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31F2NOSi/c1-24(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-21-22(26)16-27-15-18(25)14-23(21)27/h4-13,18,21-23H,14-17H2,1-3H3
InChIKeyQDEZUHPHGHLDMP-UHFFFAOYSA-N
MW415.60 g/mol
LogP3.94
Rot. Bonds5

About tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane

tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane (PubChem CID 156645446) has the molecular formula C24H31F2NOSi and a molecular weight of 415.60 g/mol. Its IUPAC name is tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane
PubChem CID156645446
Molecular FormulaC24H31F2NOSi
Molecular Weight415.60 g/mol
Exact Mass415.21
IUPAC Nametert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC1C(F)CN2CC(F)CC12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31F2NOSi/c1-24(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-21-22(26)16-27-15-18(25)14-23(21)27/h4-13,18,21-23H,14-17H2,1-3H3
InChIKeyQDEZUHPHGHLDMP-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane (CID 156645446) is tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane is CC(C)(C)[Si](OCC1C(F)CN2CC(F)CC12)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane?
The InChIKey is QDEZUHPHGHLDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2NOSi/c1-24(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-21-22(26)16-27-15-18(25)14-23(21)27/h4-13,18,21-23H,14-17H2,1-3H3.
What are the key properties of tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane?
tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane has a molecular weight of 415.60 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2,6-difluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 156645446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).