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

C11H19F2NO2 — CID 168881223

IUPAC(3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC[C@]12CCCN1[C@@H](COC(F)F)CC2
InChIInChI=1S/C11H19F2NO2/c1-15-8-11-4-2-6-14(11)9(3-5-11)7-16-10(12)13/h9-10H,2-8H2,1H3/t9-,11-/m1/s1
InChIKeyFOCDXTZTUFOZHZ-MWLCHTKSSA-N
MW235.27 g/mol
LogP1.87
Rot. Bonds5

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

(3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 168881223) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is (3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID168881223
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name(3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC[C@]12CCCN1[C@@H](COC(F)F)CC2
InChIInChI=1S/C11H19F2NO2/c1-15-8-11-4-2-6-14(11)9(3-5-11)7-16-10(12)13/h9-10H,2-8H2,1H3/t9-,11-/m1/s1
InChIKeyFOCDXTZTUFOZHZ-MWLCHTKSSA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 168881223) is (3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is COC[C@]12CCCN1[C@@H](COC(F)F)CC2.
What is the InChIKey of (3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is FOCDXTZTUFOZHZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-15-8-11-4-2-6-14(11)9(3-5-11)7-16-10(12)13/h9-10H,2-8H2,1H3/t9-,11-/m1/s1.
What are the key properties of (3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
(3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 235.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 168881223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).