2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione

C23H15F4N3O3 — CID 25210569

IUPAC2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1cc(F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C23H15F4N3O3/c1-29-20-17(21(32)30(2)22(29)33)15(10-7-11(23(25,26)27)9-12(24)8-10)16-18(28-20)13-5-3-4-6-14(13)19(16)31/h3-9,15,28H,1-2H3
InChIKeyZNCJZQCFCDZUIZ-UHFFFAOYSA-N
MW457.38 g/mol
LogP3.41
Rot. Bonds1

About 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione

2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione (PubChem CID 25210569) has the molecular formula C23H15F4N3O3 and a molecular weight of 457.38 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
PubChem CID25210569
Molecular FormulaC23H15F4N3O3
Molecular Weight457.38 g/mol
Exact Mass457.10
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1cc(F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C23H15F4N3O3/c1-29-20-17(21(32)30(2)22(29)33)15(10-7-11(23(25,26)27)9-12(24)8-10)16-18(28-20)13-5-3-4-6-14(13)19(16)31/h3-9,15,28H,1-2H3
InChIKeyZNCJZQCFCDZUIZ-UHFFFAOYSA-N
XLogP3.41
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione (CID 25210569) is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione is Cn1c2c(c(=O)n(C)c1=O)C(c1cc(F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
The InChIKey is ZNCJZQCFCDZUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N3O3/c1-29-20-17(21(32)30(2)22(29)33)15(10-7-11(23(25,26)27)9-12(24)8-10)16-18(28-20)13-5-3-4-6-14(13)19(16)31/h3-9,15,28H,1-2H3.
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione?
2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione has a molecular weight of 457.38 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione is sourced from PubChem (CID 25210569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).