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

C24H38F2N2O2 — CID 170571829

IUPAC(6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OC[C@@]12CCCN1C(CC(C)OC[C@@]13CCCN1C/C(=C\F)C3)/C(=C/F)C2
InChIInChI=1S/C24H38F2N2O2/c1-18(2)29-17-24-7-5-9-28(24)22(21(12-24)14-26)10-19(3)30-16-23-6-4-8-27(23)15-20(11-23)13-25/h13-14,18-19,22H,4-12,15-17H2,1-3H3/b20-13-,21-14+/t19?,22?,23-,24-/m0/s1
InChIKeyBFPBRPJCHQIHSN-CKDMFMOESA-N
MW424.58 g/mol
LogP4.76
Rot. Bonds8

About (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-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]propyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 170571829) has the molecular formula C24H38F2N2O2 and a molecular weight of 424.58 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]propyl]-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]propyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID170571829
Molecular FormulaC24H38F2N2O2
Molecular Weight424.58 g/mol
Exact Mass424.29
IUPAC Name(6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OC[C@@]12CCCN1C(CC(C)OC[C@@]13CCCN1C/C(=C\F)C3)/C(=C/F)C2
InChIInChI=1S/C24H38F2N2O2/c1-18(2)29-17-24-7-5-9-28(24)22(21(12-24)14-26)10-19(3)30-16-23-6-4-8-27(23)15-20(11-23)13-25/h13-14,18-19,22H,4-12,15-17H2,1-3H3/b20-13-,21-14+/t19?,22?,23-,24-/m0/s1
InChIKeyBFPBRPJCHQIHSN-CKDMFMOESA-N
XLogP4.76
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-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]propyl]-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]propyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 170571829) is (6E,8S)-6-(fluoromethylidene)-5-[2-[[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]propyl]-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]propyl]-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]propyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)OC[C@@]12CCCN1C(CC(C)OC[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]propyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is BFPBRPJCHQIHSN-CKDMFMOESA-N. The full InChI is InChI=1S/C24H38F2N2O2/c1-18(2)29-17-24-7-5-9-28(24)22(21(12-24)14-26)10-19(3)30-16-23-6-4-8-27(23)15-20(11-23)13-25/h13-14,18-19,22H,4-12,15-17H2,1-3H3/b20-13-,21-14+/t19?,22?,23-,24-/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]propyl]-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]propyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 424.58 g/mol, XLogP of 4.76, 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]propyl]-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 170571829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).