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

C23H35F3N2O2 — CID 170053010

IUPAC(6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCOCC12CCCN1C(CC(C)OCC13CCCN1CC(=C(F)F)C3)/C(=C/F)C2
InChIInChI=1S/C23H35F3N2O2/c1-3-29-15-23-7-5-9-28(23)20(18(11-23)13-24)10-17(2)30-16-22-6-4-8-27(22)14-19(12-22)21(25)26/h13,17,20H,3-12,14-16H2,1-2H3/b18-13+
InChIKeyBGIMDSNJSFJXPA-QGOAFFKASA-N
MW428.54 g/mol
LogP4.67
Rot. Bonds8

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

(6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 170053010) has the molecular formula C23H35F3N2O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-8-(ethoxymethyl)-6-(fluoromethylidene)-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]-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID170053010
Molecular FormulaC23H35F3N2O2
Molecular Weight428.54 g/mol
Exact Mass428.27
IUPAC Name(6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCOCC12CCCN1C(CC(C)OCC13CCCN1CC(=C(F)F)C3)/C(=C/F)C2
InChIInChI=1S/C23H35F3N2O2/c1-3-29-15-23-7-5-9-28(23)20(18(11-23)13-24)10-17(2)30-16-22-6-4-8-27(22)14-19(12-22)21(25)26/h13,17,20H,3-12,14-16H2,1-2H3/b18-13+
InChIKeyBGIMDSNJSFJXPA-QGOAFFKASA-N
XLogP4.67
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.67
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]-8-(ethoxymethyl)-6-(fluoromethylidene)-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]-8-(ethoxymethyl)-6-(fluoromethylidene)-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]-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 170053010) is (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-8-(ethoxymethyl)-6-(fluoromethylidene)-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]-8-(ethoxymethyl)-6-(fluoromethylidene)-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]-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine is CCOCC12CCCN1C(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]-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is BGIMDSNJSFJXPA-QGOAFFKASA-N. The full InChI is InChI=1S/C23H35F3N2O2/c1-3-29-15-23-7-5-9-28(23)20(18(11-23)13-24)10-17(2)30-16-22-6-4-8-27(22)14-19(12-22)21(25)26/h13,17,20H,3-12,14-16H2,1-2H3/b18-13+.
What are the key properties of (6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E)-5-[2-[[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 428.54 g/mol, XLogP of 4.67, 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]-8-(ethoxymethyl)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 170053010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).