[6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone

C24H19F2NO4 — CID 10002398

IUPAC[6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccc(F)cc1)O2)N1CCOCC1
InChIInChI=1S/C24H19F2NO4/c25-18-8-6-17(7-9-18)24(16-4-2-1-3-5-16)30-21-14-19(20(26)15-22(21)31-24)23(28)27-10-12-29-13-11-27/h1-9,14-15H,10-13H2
InChIKeyDSHCHXPDFGGRCV-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.11
Rot. Bonds3

About [6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone

[6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone (PubChem CID 10002398) has the molecular formula C24H19F2NO4 and a molecular weight of 423.42 g/mol. Its IUPAC name is [6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
PubChem CID10002398
Molecular FormulaC24H19F2NO4
Molecular Weight423.42 g/mol
Exact Mass423.13
IUPAC Name[6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccc(F)cc1)O2)N1CCOCC1
InChIInChI=1S/C24H19F2NO4/c25-18-8-6-17(7-9-18)24(16-4-2-1-3-5-16)30-21-14-19(20(26)15-22(21)31-24)23(28)27-10-12-29-13-11-27/h1-9,14-15H,10-13H2
InChIKeyDSHCHXPDFGGRCV-UHFFFAOYSA-N
XLogP4.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone (CID 10002398) is [6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone is O=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccc(F)cc1)O2)N1CCOCC1.
What is the InChIKey of [6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is DSHCHXPDFGGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO4/c25-18-8-6-17(7-9-18)24(16-4-2-1-3-5-16)30-21-14-19(20(26)15-22(21)31-24)23(28)27-10-12-29-13-11-27/h1-9,14-15H,10-13H2.
What are the key properties of [6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
[6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 423.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-(4-fluorophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 10002398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).