2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

C24H22F4N2O4 — CID 171592125

IUPAC2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESCCC(CC)N1C(=O)c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C1=O)C(=O)N(C(CC)CC)C3=O
InChIInChI=1S/C24H22F4N2O4/c1-5-9(6-2)29-21(31)13-11-12-15(19(27)17(13)25)23(33)30(10(7-3)8-4)24(34)16(12)20(28)18(26)14(11)22(29)32/h9-10H,5-8H2,1-4H3
InChIKeyVPXHQAZCTAEFSF-UHFFFAOYSA-N
MW478.44 g/mol
LogP4.97
Rot. Bonds6

About 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 171592125) has the molecular formula C24H22F4N2O4 and a molecular weight of 478.44 g/mol. Its IUPAC name is 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-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 Name2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
PubChem CID171592125
Molecular FormulaC24H22F4N2O4
Molecular Weight478.44 g/mol
Exact Mass478.15
IUPAC Name2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESCCC(CC)N1C(=O)c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C1=O)C(=O)N(C(CC)CC)C3=O
InChIInChI=1S/C24H22F4N2O4/c1-5-9(6-2)29-21(31)13-11-12-15(19(27)17(13)25)23(33)30(10(7-3)8-4)24(34)16(12)20(28)18(26)14(11)22(29)32/h9-10H,5-8H2,1-4H3
InChIKeyVPXHQAZCTAEFSF-UHFFFAOYSA-N
XLogP4.97
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-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 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-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 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 171592125) is 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-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 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-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 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is CCC(CC)N1C(=O)c2c(F)c(F)c3c4c(c(F)c(F)c(c24)C1=O)C(=O)N(C(CC)CC)C3=O.
What is the InChIKey of 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-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 VPXHQAZCTAEFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O4/c1-5-9(6-2)29-21(31)13-11-12-15(19(27)17(13)25)23(33)30(10(7-3)8-4)24(34)16(12)20(28)18(26)14(11)22(29)32/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-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 478.44 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,10-tetrafluoro-6,13-di(pentan-3-yl)-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 171592125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).