(2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine

C21H36F2N2O2 — CID 176927787

IUPAC(2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCOCC12CCC(CC(C)OC[C@]34CCCN3C[C@H](F)C4)N1C[C@H](F)C2
InChIInChI=1S/C21H36F2N2O2/c1-3-26-14-21-7-5-19(25(21)13-18(23)11-21)9-16(2)27-15-20-6-4-8-24(20)12-17(22)10-20/h16-19H,3-15H2,1-2H3/t16?,17-,18-,19?,20-,21?/m1/s1
InChIKeyHDDWTYZLFZKZII-FUDGHYGOSA-N
MW386.53 g/mol
LogP3.34
Rot. Bonds8

About (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine

(2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176927787) has the molecular formula C21H36F2N2O2 and a molecular weight of 386.53 g/mol. Its IUPAC name is (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID176927787
Molecular FormulaC21H36F2N2O2
Molecular Weight386.53 g/mol
Exact Mass386.27
IUPAC Name(2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCOCC12CCC(CC(C)OC[C@]34CCCN3C[C@H](F)C4)N1C[C@H](F)C2
InChIInChI=1S/C21H36F2N2O2/c1-3-26-14-21-7-5-19(25(21)13-18(23)11-21)9-16(2)27-15-20-6-4-8-24(20)12-17(22)10-20/h16-19H,3-15H2,1-2H3/t16?,17-,18-,19?,20-,21?/m1/s1
InChIKeyHDDWTYZLFZKZII-FUDGHYGOSA-N
XLogP3.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine (CID 176927787) is (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine is CCOCC12CCC(CC(C)OC[C@]34CCCN3C[C@H](F)C4)N1C[C@H](F)C2.
What is the InChIKey of (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is HDDWTYZLFZKZII-FUDGHYGOSA-N. The full InChI is InChI=1S/C21H36F2N2O2/c1-3-26-14-21-7-5-19(25(21)13-18(23)11-21)9-16(2)27-15-20-6-4-8-24(20)12-17(22)10-20/h16-19H,3-15H2,1-2H3/t16?,17-,18-,19?,20-,21?/m1/s1.
What are the key properties of (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine?
(2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 386.53 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-(ethoxymethyl)-2-fluoro-5-[2-[[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176927787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).