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

C23H36F2N2O2 — CID 172628065

IUPAC(6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OC[C@@]12CCCN1C(CCOC[C@@]13CCCN1C/C(=C\F)C3)/C(=C/F)C2
InChIInChI=1S/C23H36F2N2O2/c1-18(2)29-17-23-7-4-9-27(23)21(20(12-23)14-25)5-10-28-16-22-6-3-8-26(22)15-19(11-22)13-24/h13-14,18,21H,3-12,15-17H2,1-2H3/b19-13-,20-14+/t21?,22-,23-/m0/s1
InChIKeyDZAVZDUEOMLXGT-XZZLXVQQSA-N
MW410.55 g/mol
LogP4.37
Rot. Bonds8

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

(6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 172628065) has the molecular formula C23H36F2N2O2 and a molecular weight of 410.55 g/mol. Its IUPAC name is (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID172628065
Molecular FormulaC23H36F2N2O2
Molecular Weight410.55 g/mol
Exact Mass410.27
IUPAC Name(6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OC[C@@]12CCCN1C(CCOC[C@@]13CCCN1C/C(=C\F)C3)/C(=C/F)C2
InChIInChI=1S/C23H36F2N2O2/c1-18(2)29-17-23-7-4-9-27(23)21(20(12-23)14-25)5-10-28-16-22-6-3-8-26(22)15-19(11-22)13-24/h13-14,18,21H,3-12,15-17H2,1-2H3/b19-13-,20-14+/t21?,22-,23-/m0/s1
InChIKeyDZAVZDUEOMLXGT-XZZLXVQQSA-N
XLogP4.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-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,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 172628065) is (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)OC[C@@]12CCCN1C(CCOC[C@@]13CCCN1C/C(=C\F)C3)/C(=C/F)C2.
What is the InChIKey of (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is DZAVZDUEOMLXGT-XZZLXVQQSA-N. The full InChI is InChI=1S/C23H36F2N2O2/c1-18(2)29-17-23-7-4-9-27(23)21(20(12-23)14-25)5-10-28-16-22-6-3-8-26(22)15-19(11-22)13-24/h13-14,18,21H,3-12,15-17H2,1-2H3/b19-13-,20-14+/t21?,22-,23-/m0/s1.
What are the key properties of (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 410.55 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]ethyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 172628065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).