6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione

C10H7F3N4O2 — CID 67016039

IUPAC6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(N(c2ccccc2)C(F)(F)F)[nH]c(=O)[nH]1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)17(6-4-2-1-3-5-6)7-14-8(18)16-9(19)15-7/h1-5H,(H2,14,15,16,18,19)
InChIKeyYNHCXNVVCRJYTQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.12
Rot. Bonds2

About 6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione

6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione (PubChem CID 67016039) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione
PubChem CID67016039
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Name6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(N(c2ccccc2)C(F)(F)F)[nH]c(=O)[nH]1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)17(6-4-2-1-3-5-6)7-14-8(18)16-9(19)15-7/h1-5H,(H2,14,15,16,18,19)
InChIKeyYNHCXNVVCRJYTQ-UHFFFAOYSA-N
XLogP1.12
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione (CID 67016039) is 6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione is O=c1nc(N(c2ccccc2)C(F)(F)F)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione?
The InChIKey is YNHCXNVVCRJYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c11-10(12,13)17(6-4-2-1-3-5-6)7-14-8(18)16-9(19)15-7/h1-5H,(H2,14,15,16,18,19).
What are the key properties of 6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione?
6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione has a molecular weight of 272.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-(trifluoromethyl)anilino]-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 67016039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).