4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine

C12H11F3N4O — CID 103476943

IUPAC4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)7-20-6-9-17-10(19-11(16)18-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,16,17,18,19)
InChIKeyGDGQZFSMHSDUGD-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.20
Rot. Bonds4

About 4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine

4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476943) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476943
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)7-20-6-9-17-10(19-11(16)18-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,16,17,18,19)
InChIKeyGDGQZFSMHSDUGD-UHFFFAOYSA-N
XLogP2.20
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103476943) is 4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is Nc1nc(COCC(F)(F)F)nc(-c2ccccc2)n1.
What is the InChIKey of 4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is GDGQZFSMHSDUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)7-20-6-9-17-10(19-11(16)18-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,16,17,18,19).
What are the key properties of 4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 284.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).