morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone

C26H20F3NO4 — CID 11363335

IUPACmorpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone
SMILESO=C(c1cc2c(cc1F)OC1(O2)c2ccc(F)cc2CCc2cc(F)ccc21)N1CCOCC1
InChIInChI=1S/C26H20F3NO4/c27-17-3-5-20-15(11-17)1-2-16-12-18(28)4-6-21(16)26(20)33-23-13-19(22(29)14-24(23)34-26)25(31)30-7-9-32-10-8-30/h3-6,11-14H,1-2,7-10H2
InChIKeyMEILNHUHBIAXPX-UHFFFAOYSA-N
MW467.44 g/mol
LogP4.35
Rot. Bonds1

About morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone

morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone (PubChem CID 11363335) has the molecular formula C26H20F3NO4 and a molecular weight of 467.44 g/mol. Its IUPAC name is morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone
PubChem CID11363335
Molecular FormulaC26H20F3NO4
Molecular Weight467.44 g/mol
Exact Mass467.13
IUPAC Namemorpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone
SMILESO=C(c1cc2c(cc1F)OC1(O2)c2ccc(F)cc2CCc2cc(F)ccc21)N1CCOCC1
InChIInChI=1S/C26H20F3NO4/c27-17-3-5-20-15(11-17)1-2-16-12-18(28)4-6-21(16)26(20)33-23-13-19(22(29)14-24(23)34-26)25(31)30-7-9-32-10-8-30/h3-6,11-14H,1-2,7-10H2
InChIKeyMEILNHUHBIAXPX-UHFFFAOYSA-N
XLogP4.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone?
The IUPAC name of morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone (CID 11363335) is morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone?
The canonical SMILES for morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone is O=C(c1cc2c(cc1F)OC1(O2)c2ccc(F)cc2CCc2cc(F)ccc21)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone?
The InChIKey is MEILNHUHBIAXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO4/c27-17-3-5-20-15(11-17)1-2-16-12-18(28)4-6-21(16)26(20)33-23-13-19(22(29)14-24(23)34-26)25(31)30-7-9-32-10-8-30/h3-6,11-14H,1-2,7-10H2.
What are the key properties of morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone?
morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone has a molecular weight of 467.44 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(6,6',13'-trifluorospiro[1,3-benzodioxole-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5-yl)methanone is sourced from PubChem (CID 11363335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).