tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane

C25H32FNOSi — CID 171568174

IUPACtert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@]12CCCN1C/C(=C/F)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32FNOSi/c1-24(2,3)29(22-11-6-4-7-12-22,23-13-8-5-9-14-23)28-20-25-15-10-16-27(25)19-21(17-25)18-26/h4-9,11-14,18H,10,15-17,19-20H2,1-3H3/b21-18+/t25-/m0/s1
InChIKeyGBQQDSYZJGVNAM-MONSYSNTSA-N
MW409.62 g/mol
LogP4.65
Rot. Bonds5

About tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane

tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane (PubChem CID 171568174) has the molecular formula C25H32FNOSi and a molecular weight of 409.62 g/mol. Its IUPAC name is tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
PubChem CID171568174
Molecular FormulaC25H32FNOSi
Molecular Weight409.62 g/mol
Exact Mass409.22
IUPAC Nametert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@]12CCCN1C/C(=C/F)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32FNOSi/c1-24(2,3)29(22-11-6-4-7-12-22,23-13-8-5-9-14-23)28-20-25-15-10-16-27(25)19-21(17-25)18-26/h4-9,11-14,18H,10,15-17,19-20H2,1-3H3/b21-18+/t25-/m0/s1
InChIKeyGBQQDSYZJGVNAM-MONSYSNTSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 54.65
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-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane (CID 171568174) is tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@]12CCCN1C/C(=C/F)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane?
The InChIKey is GBQQDSYZJGVNAM-MONSYSNTSA-N. The full InChI is InChI=1S/C25H32FNOSi/c1-24(2,3)29(22-11-6-4-7-12-22,23-13-8-5-9-14-23)28-20-25-15-10-16-27(25)19-21(17-25)18-26/h4-9,11-14,18H,10,15-17,19-20H2,1-3H3/b21-18+/t25-/m0/s1.
What are the key properties of tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane?
tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane has a molecular weight of 409.62 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 171568174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).