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

C10H16F3NO2 — CID 164921966

IUPAC8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCCN1CC(OC(F)(F)F)C2
InChIInChI=1S/C10H16F3NO2/c1-15-7-9-3-2-4-14(9)6-8(5-9)16-10(11,12)13/h8H,2-7H2,1H3
InChIKeyCCOXLNBIHUQYOR-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.78
Rot. Bonds3

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

8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164921966) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164921966
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCCN1CC(OC(F)(F)F)C2
InChIInChI=1S/C10H16F3NO2/c1-15-7-9-3-2-4-14(9)6-8(5-9)16-10(11,12)13/h8H,2-7H2,1H3
InChIKeyCCOXLNBIHUQYOR-UHFFFAOYSA-N
XLogP1.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine (CID 164921966) is 8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine is COCC12CCCN1CC(OC(F)(F)F)C2.
What is the InChIKey of 8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is CCOXLNBIHUQYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-15-7-9-3-2-4-14(9)6-8(5-9)16-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of 8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine?
8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 239.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164921966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).