13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole]

C22H13F3N2O4 — CID 143657280

IUPAC13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESFC(F)(F)c1cc2c(o1)N=C1N(C2)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C22H13F3N2O4/c23-22(24,25)18-5-11-8-27-14-4-2-1-3-12(14)21(20(27)26-19(11)31-18)9-28-15-7-17-16(6-13(15)21)29-10-30-17/h1-7H,8-10H2
InChIKeyOZNNGGLAFDMUSI-UHFFFAOYSA-N
MW426.35 g/mol
LogP4.77
Rot. Bonds

About 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole]

13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole] (PubChem CID 143657280) has the molecular formula C22H13F3N2O4 and a molecular weight of 426.35 g/mol. Its IUPAC name is 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole].

Molecular Properties

Compound Name13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole]
PubChem CID143657280
Molecular FormulaC22H13F3N2O4
Molecular Weight426.35 g/mol
Exact Mass426.08
IUPAC Name13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESFC(F)(F)c1cc2c(o1)N=C1N(C2)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C22H13F3N2O4/c23-22(24,25)18-5-11-8-27-14-4-2-1-3-12(14)21(20(27)26-19(11)31-18)9-28-15-7-17-16(6-13(15)21)29-10-30-17/h1-7H,8-10H2
InChIKeyOZNNGGLAFDMUSI-UHFFFAOYSA-N
XLogP4.77
TPSA56.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The IUPAC name of 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole] (CID 143657280) is 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole].
What is the SMILES notation for 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The canonical SMILES for 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole] is FC(F)(F)c1cc2c(o1)N=C1N(C2)c2ccccc2C12COc1cc3c(cc12)OCO3.
What is the InChIKey of 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The InChIKey is OZNNGGLAFDMUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N2O4/c23-22(24,25)18-5-11-8-27-14-4-2-1-3-12(14)21(20(27)26-19(11)31-18)9-28-15-7-17-16(6-13(15)21)29-10-30-17/h1-7H,8-10H2.
What are the key properties of 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole]?
13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole] has a molecular weight of 426.35 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(trifluoromethyl)spiro[12-oxa-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-8,7'-6H-furo[2,3-f][1,3]benzodioxole] is sourced from PubChem (CID 143657280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).