2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

C16H8F2N2O4 — CID 58151058

IUPAC2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESCN1C(=O)c2cc(F)c3c4c(cc(F)c(c24)C1=O)C(=O)N(C)C3=O
InChIInChI=1S/C16H8F2N2O4/c1-19-13(21)5-3-8(18)12-10-6(14(22)20(2)16(12)24)4-7(17)11(9(5)10)15(19)23/h3-4H,1-2H3
InChIKeyFRSDIZLUMAGXNL-UHFFFAOYSA-N
MW330.25 g/mol
LogP1.57
Rot. Bonds

About 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 58151058) has the molecular formula C16H8F2N2O4 and a molecular weight of 330.25 g/mol. Its IUPAC name is 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
PubChem CID58151058
Molecular FormulaC16H8F2N2O4
Molecular Weight330.25 g/mol
Exact Mass330.05
IUPAC Name2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESCN1C(=O)c2cc(F)c3c4c(cc(F)c(c24)C1=O)C(=O)N(C)C3=O
InChIInChI=1S/C16H8F2N2O4/c1-19-13(21)5-3-8(18)12-10-6(14(22)20(2)16(12)24)4-7(17)11(9(5)10)15(19)23/h3-4H,1-2H3
InChIKeyFRSDIZLUMAGXNL-UHFFFAOYSA-N
XLogP1.57
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The IUPAC name of 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 58151058) is 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is CN1C(=O)c2cc(F)c3c4c(cc(F)c(c24)C1=O)C(=O)N(C)C3=O.
What is the InChIKey of 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The InChIKey is FRSDIZLUMAGXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N2O4/c1-19-13(21)5-3-8(18)12-10-6(14(22)20(2)16(12)24)4-7(17)11(9(5)10)15(19)23/h3-4H,1-2H3.
What are the key properties of 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone has a molecular weight of 330.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-difluoro-6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 58151058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).