4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine

C8H11F3N4O2 — CID 80877469

IUPAC4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-3-16-6-13-5(12)14-7(15-6)17-4(2)8(9,10)11/h4H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyLGIZRHIRSKRSQN-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.18
Rot. Bonds4

About 4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine

4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 80877469) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID80877469
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-3-16-6-13-5(12)14-7(15-6)17-4(2)8(9,10)11/h4H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyLGIZRHIRSKRSQN-UHFFFAOYSA-N
XLogP1.18
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
[4-propoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80923867
4-butan-2-ylsulfanyl-6-ethoxy-1,3,5-triazin-2-amine
CID 80887131
4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877379
4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
CID 82795407
6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792073
4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazin-2-amine
CID 80859204
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80810648
4-(2-butan-2-ylphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80874080
6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
CID 80801244

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 80877469) is 4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is CCOc1nc(N)nc(OC(C)C(F)(F)F)n1.
What is the InChIKey of 4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is LGIZRHIRSKRSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-3-16-6-13-5(12)14-7(15-6)17-4(2)8(9,10)11/h4H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 252.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80877469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).