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

C24H30FNO2Si — CID 166452545

IUPAC(6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](OC[C@@]12CCC(=O)N1C[C@H](F)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30FNO2Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-18-24-15-14-22(27)26(24)17-19(25)16-24/h4-13,19H,14-18H2,1-3H3/t19-,24+/m1/s1
InChIKeyZTOQFDGZRAQJCK-DVECYGJZSA-N
MW411.59 g/mol
LogP3.67
Rot. Bonds5

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

(6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 166452545) has the molecular formula C24H30FNO2Si and a molecular weight of 411.59 g/mol. Its IUPAC name is (6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID166452545
Molecular FormulaC24H30FNO2Si
Molecular Weight411.59 g/mol
Exact Mass411.20
IUPAC Name(6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)(C)[Si](OC[C@@]12CCC(=O)N1C[C@H](F)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30FNO2Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-18-24-15-14-22(27)26(24)17-19(25)16-24/h4-13,19H,14-18H2,1-3H3/t19-,24+/m1/s1
InChIKeyZTOQFDGZRAQJCK-DVECYGJZSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.67
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 (6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 166452545) is (6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC(C)(C)[Si](OC[C@@]12CCC(=O)N1C[C@H](F)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is ZTOQFDGZRAQJCK-DVECYGJZSA-N. The full InChI is InChI=1S/C24H30FNO2Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-18-24-15-14-22(27)26(24)17-19(25)16-24/h4-13,19H,14-18H2,1-3H3/t19-,24+/m1/s1.
What are the key properties of (6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 411.59 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 166452545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).