8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine

C12H20F3NO2 — CID 164921891

IUPAC8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1CC(OC(F)(F)F)C2
InChIInChI=1S/C12H20F3NO2/c1-9(2)17-8-11-4-3-5-16(11)7-10(6-11)18-12(13,14)15/h9-10H,3-8H2,1-2H3
InChIKeyJHZSOIFJMOYSEO-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.55
Rot. Bonds4

About 8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine

8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164921891) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164921891
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1CC(OC(F)(F)F)C2
InChIInChI=1S/C12H20F3NO2/c1-9(2)17-8-11-4-3-5-16(11)7-10(6-11)18-12(13,14)15/h9-10H,3-8H2,1-2H3
InChIKeyJHZSOIFJMOYSEO-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine (CID 164921891) is 8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)OCC12CCCN1CC(OC(F)(F)F)C2.
What is the InChIKey of 8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is JHZSOIFJMOYSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-9(2)17-8-11-4-3-5-16(11)7-10(6-11)18-12(13,14)15/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 267.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propan-2-yloxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164921891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).