4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C8H11F3N4O — CID 103151151

IUPAC4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-5-13-6(15-7(12)14-5)2-3-16-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15)
InChIKeyMHFGBJDUKGMFBA-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.88
Rot. Bonds4

About 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151151) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151151
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-5-13-6(15-7(12)14-5)2-3-16-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15)
InChIKeyMHFGBJDUKGMFBA-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-
CID 121205
1,3,5-Triazin-2-amine, 4-propoxy-6-(trifluoromethyl)-
CID 10900193
6-[2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 14512671
N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 123308053
4-Methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 141834652
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
4-Butoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 13984521
4-Ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63868176
4-Propyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63868469
4-Ethyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964530
4-Propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964531

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151151) is 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Cc1nc(N)nc(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is MHFGBJDUKGMFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-5-13-6(15-7(12)14-5)2-3-16-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 236.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).