3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C30H32F3NO2 — CID 178065069

IUPAC3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESFC(F)(F)COCC1CCC2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CCCN12
InChIInChI=1S/C30H32F3NO2/c31-29(32,33)23-35-21-27-17-19-28(18-10-20-34(27)28)22-36-30(24-11-4-1-5-12-24,25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16,27H,10,17-23H2
InChIKeyPWRGFLJJUVFFOJ-UHFFFAOYSA-N
MW495.59 g/mol
LogP6.57
Rot. Bonds9

About 3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 178065069) has the molecular formula C30H32F3NO2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID178065069
Molecular FormulaC30H32F3NO2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC Name3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESFC(F)(F)COCC1CCC2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CCCN12
InChIInChI=1S/C30H32F3NO2/c31-29(32,33)23-35-21-27-17-19-28(18-10-20-34(27)28)22-36-30(24-11-4-1-5-12-24,25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16,27H,10,17-23H2
InChIKeyPWRGFLJJUVFFOJ-UHFFFAOYSA-N
XLogP6.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.59
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,3R,8R)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11339728
(R)-3-fluoro-1-((S)-1-(trityloxy)propan-2-yl)pyrrolidine
CID 86682909
3-Fluoro-1-(1-trityloxypropan-2-yl)pyrrolidine
CID 89541137
(R)-3-(fluoromethyl)-1-((S)-1-(trityloxy)propan-2-yl)pyrrolidine
CID 89634608
(R)-3-(Fluoromethyl)-1-((S)-1-(trityloxy)-propan-2-yl)pyrrolidine
CID 117774299
3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine
CID 126636061
(7aR)-1,1-bis[3,5-bis(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazole
CID 141427494
(3S,8S)-3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169315301
(3S,8S)-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169315319
(3S,8S)-3-(fluoromethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169315450
(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169315680
(3S,8S)-3-[[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxymethyl]-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170359581

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 178065069) is 3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is FC(F)(F)COCC1CCC2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CCCN12.
What is the InChIKey of 3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is PWRGFLJJUVFFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3NO2/c31-29(32,33)23-35-21-27-17-19-28(18-10-20-34(27)28)22-36-30(24-11-4-1-5-12-24,25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16,27H,10,17-23H2.
What are the key properties of 3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 495.59 g/mol, XLogP of 6.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxymethyl)-8-(trityloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 178065069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).