tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane

C24H32FNOSi — CID 166452547

IUPACtert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@]12CCCN1C[C@H](F)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32FNOSi/c1-23(2,3)28(21-11-6-4-7-12-21,22-13-8-5-9-14-22)27-19-24-15-10-16-26(24)18-20(25)17-24/h4-9,11-14,20H,10,15-19H2,1-3H3/t20-,24+/m1/s1
InChIKeyXSVOWAFUVRWUKA-YKSBVNFPSA-N
MW397.61 g/mol
LogP4.14
Rot. Bonds5

About tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane (PubChem CID 166452547) has the molecular formula C24H32FNOSi and a molecular weight of 397.61 g/mol. Its IUPAC name is tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
PubChem CID166452547
Molecular FormulaC24H32FNOSi
Molecular Weight397.61 g/mol
Exact Mass397.22
IUPAC Nametert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@]12CCCN1C[C@H](F)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32FNOSi/c1-23(2,3)28(21-11-6-4-7-12-21,22-13-8-5-9-14-22)27-19-24-15-10-16-26(24)18-20(25)17-24/h4-9,11-14,20H,10,15-19H2,1-3H3/t20-,24+/m1/s1
InChIKeyXSVOWAFUVRWUKA-YKSBVNFPSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.61
LogP ≤ 54.14
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-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane (CID 166452547) is tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@]12CCCN1C[C@H](F)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane?
The InChIKey is XSVOWAFUVRWUKA-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H32FNOSi/c1-23(2,3)28(21-11-6-4-7-12-21,22-13-8-5-9-14-22)27-19-24-15-10-16-26(24)18-20(25)17-24/h4-9,11-14,20H,10,15-19H2,1-3H3/t20-,24+/m1/s1.
What are the key properties of tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane has a molecular weight of 397.61 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 166452547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).