tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane

C26H33F2NOSi — CID 169315623

IUPACtert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC12CCCN1C[C@]1(C2)CC1(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33F2NOSi/c1-23(2,3)31(21-11-6-4-7-12-21,22-13-8-5-9-14-22)30-20-25-15-10-16-29(25)19-24(17-25)18-26(24,27)28/h4-9,11-14H,10,15-20H2,1-3H3/t24-,25?/m0/s1
InChIKeyNHHGSQNJMSABMH-SKCDSABHSA-N
MW441.64 g/mol
LogP4.83
Rot. Bonds5

About tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane

tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane (PubChem CID 169315623) has the molecular formula C26H33F2NOSi and a molecular weight of 441.64 g/mol. Its IUPAC name is tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane
PubChem CID169315623
Molecular FormulaC26H33F2NOSi
Molecular Weight441.64 g/mol
Exact Mass441.23
IUPAC Nametert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC12CCCN1C[C@]1(C2)CC1(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33F2NOSi/c1-23(2,3)31(21-11-6-4-7-12-21,22-13-8-5-9-14-22)30-20-25-15-10-16-29(25)19-24(17-25)18-26(24,27)28/h4-9,11-14H,10,15-20H2,1-3H3/t24-,25?/m0/s1
InChIKeyNHHGSQNJMSABMH-SKCDSABHSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,7AR)-7a-(((tert-butyldiphenylsilyl)oxy)methyl)-2-fluorohexahydro-1H-pyrrolizine
CID 155630293
8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizine-3-thione
CID 156645856
Tert-butyl-[(2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane
CID 164521674
tert-butyl-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 166452547
tert-butyl-[[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 169041327
tert-butyl-[[(6S,8S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane
CID 169315284
tert-butyl-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 170945725
tert-butyl-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
CID 171568011
tert-butyl-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
CID 171568174
tert-butyl-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
CID 171812047
tert-butyl-[[(6E)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-diphenylsilane
CID 171812054
Tert-butyl-[[2-(2,2-difluoroethenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 172279407

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane (CID 169315623) is tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OCC12CCCN1C[C@]1(C2)CC1(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane?
The InChIKey is NHHGSQNJMSABMH-SKCDSABHSA-N. The full InChI is InChI=1S/C26H33F2NOSi/c1-23(2,3)31(21-11-6-4-7-12-21,22-13-8-5-9-14-22)30-20-25-15-10-16-29(25)19-24(17-25)18-26(24,27)28/h4-9,11-14H,10,15-20H2,1-3H3/t24-,25?/m0/s1.
What are the key properties of tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane?
tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane has a molecular weight of 441.64 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(6S)-1',1'-difluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 169315623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).