(6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C24H37F3N2O2 — CID 170375942

IUPAC(6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OCC12CCCN1C(CC(C)OCC13CCCN1CC(=C(F)F)C3)/C(=C/F)C2
InChIInChI=1S/C24H37F3N2O2/c1-17(2)30-16-24-7-5-9-29(24)21(19(11-24)13-25)10-18(3)31-15-23-6-4-8-28(23)14-20(12-23)22(26)27/h13,17-18,21H,4-12,14-16H2,1-3H3/b19-13+
InChIKeyZXLILKPQERHNQA-CPNJWEJPSA-N
MW442.57 g/mol
LogP5.06
Rot. Bonds8

About (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

(6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 170375942) has the molecular formula C24H37F3N2O2 and a molecular weight of 442.57 g/mol. Its IUPAC name is (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID170375942
Molecular FormulaC24H37F3N2O2
Molecular Weight442.57 g/mol
Exact Mass442.28
IUPAC Name(6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OCC12CCCN1C(CC(C)OCC13CCCN1CC(=C(F)F)C3)/C(=C/F)C2
InChIInChI=1S/C24H37F3N2O2/c1-17(2)30-16-24-7-5-9-29(24)21(19(11-24)13-25)10-18(3)31-15-23-6-4-8-28(23)14-20(12-23)22(26)27/h13,17-18,21H,4-12,14-16H2,1-3H3/b19-13+
InChIKeyZXLILKPQERHNQA-CPNJWEJPSA-N
XLogP5.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 170375942) is (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)OCC12CCCN1C(CC(C)OCC13CCCN1CC(=C(F)F)C3)/C(=C/F)C2.
What is the InChIKey of (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is ZXLILKPQERHNQA-CPNJWEJPSA-N. The full InChI is InChI=1S/C24H37F3N2O2/c1-17(2)30-16-24-7-5-9-29(24)21(19(11-24)13-25)10-18(3)31-15-23-6-4-8-28(23)14-20(12-23)22(26)27/h13,17-18,21H,4-12,14-16H2,1-3H3/b19-13+.
What are the key properties of (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 442.57 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 170375942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).