4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C7H9F3N4 — CID 63868176

IUPAC4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4/c1-2-4-12-5(3-7(8,9)10)14-6(11)13-4/h2-3H2,1H3,(H2,11,12,13,14)
InChIKeyWCSWRGMRFHMMRD-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.12
Rot. Bonds2

About 4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 63868176) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID63868176
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4/c1-2-4-12-5(3-7(8,9)10)14-6(11)13-4/h2-3H2,1H3,(H2,11,12,13,14)
InChIKeyWCSWRGMRFHMMRD-UHFFFAOYSA-N
XLogP1.12
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 63868176) is 4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CCc1nc(N)nc(CC(F)(F)F)n1.
What is the InChIKey of 4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is WCSWRGMRFHMMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c1-2-4-12-5(3-7(8,9)10)14-6(11)13-4/h2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 206.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).