8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C24H29F2NO2Si — CID 156645483

IUPAC8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](OCC12CC(F)CN1C(=O)C(F)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29F2NO2Si/c1-23(2,3)30(19-10-6-4-7-11-19,20-12-8-5-9-13-20)29-17-24-14-18(25)16-27(24)22(28)21(26)15-24/h4-13,18,21H,14-17H2,1-3H3
InChIKeyUYECBGVNVXBZJP-UHFFFAOYSA-N
MW429.58 g/mol
LogP3.61
Rot. Bonds5

About 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 156645483) has the molecular formula C24H29F2NO2Si and a molecular weight of 429.58 g/mol. Its IUPAC name is 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID156645483
Molecular FormulaC24H29F2NO2Si
Molecular Weight429.58 g/mol
Exact Mass429.19
IUPAC Name8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](OCC12CC(F)CN1C(=O)C(F)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29F2NO2Si/c1-23(2,3)30(19-10-6-4-7-11-19,20-12-8-5-9-13-20)29-17-24-14-18(25)16-27(24)22(28)21(26)15-24/h4-13,18,21H,14-17H2,1-3H3
InChIKeyUYECBGVNVXBZJP-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.58
LogP ≤ 53.61
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 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 156645483) is 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC(C)(C)[Si](OCC12CC(F)CN1C(=O)C(F)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is UYECBGVNVXBZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2NO2Si/c1-23(2,3)30(19-10-6-4-7-11-19,20-12-8-5-9-13-20)29-17-24-14-18(25)16-27(24)22(28)21(26)15-24/h4-13,18,21H,14-17H2,1-3H3.
What are the key properties of 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 429.58 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-difluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 156645483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).