6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine

C6H8F3N5O — CID 104932534

IUPAC6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(COCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N5O/c7-6(8,9)2-15-1-3-12-4(10)14-5(11)13-3/h1-2H2,(H4,10,11,12,13,14)
InChIKeyAZIJWFXBWXOIEI-UHFFFAOYSA-N
MW223.16 g/mol
LogP0.11
Rot. Bonds3

About 6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine

6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 104932534) has the molecular formula C6H8F3N5O and a molecular weight of 223.16 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID104932534
Molecular FormulaC6H8F3N5O
Molecular Weight223.16 g/mol
Exact Mass223.07
IUPAC Name6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(COCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N5O/c7-6(8,9)2-15-1-3-12-4(10)14-5(11)13-3/h1-2H2,(H4,10,11,12,13,14)
InChIKeyAZIJWFXBWXOIEI-UHFFFAOYSA-N
XLogP0.11
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazin-2-amine, 4-ethoxy-6-(trifluoromethyl)-
CID 199947
6-(difluoromethyl)-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 132395027
1,3,5-Triazin-2-amine, 4-propoxy-6-(trifluoromethyl)-
CID 10900193
2-Amino-4-difluoromethyl-6-methoxy-1,3,5-triazine
CID 18472023
4-Methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 141834652
4-Methylsulfanyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103206957
6-[2-(2,2-Difluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 103206963
6-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 103206964
4-Chloro-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103213748
4-Methyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476928
4-Methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 103476929
4-(2,2,2-Trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476930

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine (CID 104932534) is 6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(COCC(F)(F)F)n1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AZIJWFXBWXOIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5O/c7-6(8,9)2-15-1-3-12-4(10)14-5(11)13-3/h1-2H2,(H4,10,11,12,13,14).
What are the key properties of 6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine?
6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 223.16 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104932534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).