9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione)

C109H136F10N20O10 — CID 167633436

About 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione)

9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione) (PubChem CID 167633436) has the molecular formula C109H136F10N20O10 and a molecular weight of 2076.40 g/mol. Its IUPAC name is 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione).

Molecular Properties

• Compound Name: 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione)
• PubChem CID: 167633436
• Molecular Formula: C109H136F10N20O10
• Molecular Weight: 2076.40 g/mol
• Exact Mass: 2075.06
• IUPAC Name: 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione)
• SMILES: CCCCN1C(=O)C2CN(C)C(C)CN2c2c1c(=O)n(C)c1c(F)c(C)c(F)cc21.CCCN1C(=O)C2CN(C)C(C)CN2c2c1c(=O)n(C)c1c(F)c(C)c(F)cc21.CCCN1C(=O)C2CN(C)C(C)CN2c2c1c(=O)n(C)c1c(F)c(C)c(F)cc21.Cc1c(F)cc2c3c(c(=O)n(C)c2c1F)N(C1CCC1)C(=O)C1CN(C)C(C)CN31.Cc1c(F)cc2c3c(c(=O)n(C)c2c1F)N(CCC(C)C)C(=O)C1CN(C)C(C)CN31
• InChI: InChI=1S/C23H30F2N4O2.C22H26F2N4O2.C22H28F2N4O2.2C21H26F2N4O2/c1-12(2)7-8-28-21-20(29-10-13(3)26(5)11-17(29)22(28)30)15-9-16(24)14(4)18(25)19(15)27(6)23(21)31;1-11-9-27-16(10-25(11)3)21(29)28(13-6-5-7-13)20-19(27)14-8-15(23)12(2)17(24)18(14)26(4)22(20)30;1-6-7-8-27-20-19(28-10-12(2)25(4)11-16(28)21(27)29)14-9-15(23)13(3)17(24)18(14)26(5)22(20)30;2*1-6-7-26-19-18(27-9-11(2)24(4)10-15(27)20(26)28)13-8-14(22)12(3)16(23)17(13)25(5)21(19)29/h9,12-13,17H,7-8,10-11H2,1-6H3;8,11,13,16H,5-7,9-10H2,1-4H3;9,12,16H,6-8,10-11H2,1-5H3;2*8,11,15H,6-7,9-10H2,1-5H3
• InChIKey: ODBZIEOGTUJAFE-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 243.95 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2076.40
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione)?

The IUPAC name of 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione) (CID 167633436) is 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione).

What is the SMILES notation for 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione)?

The canonical SMILES for 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione) is CCCCN1C(=O)C2CN(C)C(C)CN2c2c1c(=O)n(C)c1c(F)c(C)c(F)cc21.CCCN1C(=O)C2CN(C)C(C)CN2c2c1c(=O)n(C)c1c(F)c(C)c(F)cc21.CCCN1C(=O)C2CN(C)C(C)CN2c2c1c(=O)n(C)c1c(F)c(C)c(F)cc21.Cc1c(F)cc2c3c(c(=O)n(C)c2c1F)N(C1CCC1)C(=O)C1CN(C)C(C)CN31.Cc1c(F)cc2c3c(c(=O)n(C)c2c1F)N(CCC(C)C)C(=O)C1CN(C)C(C)CN31.

What is the InChIKey of 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione)?

The InChIKey is ODBZIEOGTUJAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N4O2.C22H26F2N4O2.C22H28F2N4O2.2C21H26F2N4O2/c1-12(2)7-8-28-21-20(29-10-13(3)26(5)11-17(29)22(28)30)15-9-16(24)14(4)18(25)19(15)27(6)23(21)31;1-11-9-27-16(10-25(11)3)21(29)28(13-6-5-7-13)20-19(27)14-8-15(23)12(2)17(24)18(14)26(4)22(20)30;1-6-7-8-27-20-19(28-10-12(2)25(4)11-16(28)21(27)29)14-9-15(23)13(3)17(24)18(14)26(5)22(20)30;2*1-6-7-26-19-18(27-9-11(2)24(4)10-15(27)20(26)28)13-8-14(22)12(3)16(23)17(13)25(5)21(19)29/h9,12-13,17H,7-8,10-11H2,1-6H3;8,11,13,16H,5-7,9-10H2,1-4H3;9,12,16H,6-8,10-11H2,1-5H3;2*8,11,15H,6-7,9-10H2,1-5H3.

What are the key properties of 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione)?

9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione) has a molecular weight of 2076.40 g/mol, XLogP of 13.12, 11 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 9-butyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;9-cyclobutyl-14,16-difluoro-4,5,12,15-tetramethyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;14,16-difluoro-4,5,12,15-tetramethyl-9-(3-methylbutyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;bis(14,16-difluoro-4,5,12,15-tetramethyl-9-propyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione) is sourced from PubChem (CID 167633436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).