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

C7H9F3N4O — CID 103476928

IUPAC4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(COCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-4-12-5(14-6(11)13-4)2-15-3-7(8,9)10/h2-3H2,1H3,(H2,11,12,13,14)
InChIKeyKDGCECDKETWUKK-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.84
Rot. Bonds3

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

4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476928) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476928
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(COCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-4-12-5(14-6(11)13-4)2-15-3-7(8,9)10/h2-3H2,1H3,(H2,11,12,13,14)
InChIKeyKDGCECDKETWUKK-UHFFFAOYSA-N
XLogP0.84
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103476928) is 4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is Cc1nc(N)nc(COCC(F)(F)F)n1.
What is the InChIKey of 4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is KDGCECDKETWUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-4-12-5(14-6(11)13-4)2-15-3-7(8,9)10/h2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 222.17 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).