26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene

C20H31FN2O4 — CID 15335993

IUPAC26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene
SMILESFc1c2cccc1CN1CCOCCOCCN(CCOCCOCC1)C2
InChIInChI=1S/C20H31FN2O4/c21-20-18-2-1-3-19(20)17-23-6-10-26-14-12-24-8-4-22(16-18)5-9-25-13-15-27-11-7-23/h1-3H,4-17H2
InChIKeyMEENJBBIYUYWDH-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.52
Rot. Bonds

About 26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene

26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene (PubChem CID 15335993) has the molecular formula C20H31FN2O4 and a molecular weight of 382.48 g/mol. Its IUPAC name is 26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene.

Molecular Properties

Compound Name26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene
PubChem CID15335993
Molecular FormulaC20H31FN2O4
Molecular Weight382.48 g/mol
Exact Mass382.23
IUPAC Name26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene
SMILESFc1c2cccc1CN1CCOCCOCCN(CCOCCOCC1)C2
InChIInChI=1S/C20H31FN2O4/c21-20-18-2-1-3-19(20)17-23-6-10-26-14-12-24-8-4-22(16-18)5-9-25-13-15-27-11-7-23/h1-3H,4-17H2
InChIKeyMEENJBBIYUYWDH-UHFFFAOYSA-N
XLogP1.52
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene?
The IUPAC name of 26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene (CID 15335993) is 26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene.
What is the SMILES notation for 26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene?
The canonical SMILES for 26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene is Fc1c2cccc1CN1CCOCCOCCN(CCOCCOCC1)C2.
What is the InChIKey of 26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene?
The InChIKey is MEENJBBIYUYWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O4/c21-20-18-2-1-3-19(20)17-23-6-10-26-14-12-24-8-4-22(16-18)5-9-25-13-15-27-11-7-23/h1-3H,4-17H2.
What are the key properties of 26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene?
26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene has a molecular weight of 382.48 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 26-fluoro-4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene is sourced from PubChem (CID 15335993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).