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

C8H11F3N4O — CID 103476932

IUPAC4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(COCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-2-5-13-6(15-7(12)14-5)3-16-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15)
InChIKeyKUSIPQHVJXLQGI-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.10
Rot. Bonds4

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

4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476932) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476932
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(COCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-2-5-13-6(15-7(12)14-5)3-16-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15)
InChIKeyKUSIPQHVJXLQGI-UHFFFAOYSA-N
XLogP1.10
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethyl)-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 132395027
6-[2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 14512671
[4-Amino-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-yl]methanol
CID 154423237
2-Chloro-4-[2,2-difluoro-2-(2-fluoroethoxy)ethyl]-6-methyl-1,3,5-triazine
CID 157776703
Azane;2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 175232802
6-[1,2,2,2-Tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 92020395
4-Methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151151
4-[2-(2,2-Difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
CID 103151152
4-Ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151155
4-[2-(2,2-Difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine
CID 103151156
4-[2-(2,2-Difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine
CID 103151157
4-Propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151158

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103476932) is 4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is CCc1nc(N)nc(COCC(F)(F)F)n1.
What is the InChIKey of 4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is KUSIPQHVJXLQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-2-5-13-6(15-7(12)14-5)3-16-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 236.20 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).