1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione

C24H15F6N3O3 — CID 122415452

IUPAC1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
SMILESCc1ccccc1-n1c(=O)n(-c2ccccc2C(F)(F)F)c(=O)n(-c2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C24H15F6N3O3/c1-14-8-2-5-11-17(14)31-20(34)32(18-12-6-3-9-15(18)23(25,26)27)22(36)33(21(31)35)19-13-7-4-10-16(19)24(28,29)30/h2-13H,1H3
InChIKeyLUEGZTLOTMCOBV-UHFFFAOYSA-N
MW507.39 g/mol
LogP4.49
Rot. Bonds3

About 1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione

1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 122415452) has the molecular formula C24H15F6N3O3 and a molecular weight of 507.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID122415452
Molecular FormulaC24H15F6N3O3
Molecular Weight507.39 g/mol
Exact Mass507.10
IUPAC Name1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
SMILESCc1ccccc1-n1c(=O)n(-c2ccccc2C(F)(F)F)c(=O)n(-c2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C24H15F6N3O3/c1-14-8-2-5-11-17(14)31-20(34)32(18-12-6-3-9-15(18)23(25,26)27)22(36)33(21(31)35)19-13-7-4-10-16(19)24(28,29)30/h2-13H,1H3
InChIKeyLUEGZTLOTMCOBV-UHFFFAOYSA-N
XLogP4.49
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione (CID 122415452) is 1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione is Cc1ccccc1-n1c(=O)n(-c2ccccc2C(F)(F)F)c(=O)n(-c2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of 1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is LUEGZTLOTMCOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F6N3O3/c1-14-8-2-5-11-17(14)31-20(34)32(18-12-6-3-9-15(18)23(25,26)27)22(36)33(21(31)35)19-13-7-4-10-16(19)24(28,29)30/h2-13H,1H3.
What are the key properties of 1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione?
1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 507.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 122415452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).