4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C8H11F3N4O2 — CID 80859179

IUPAC4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-2-3-16-6-13-5(12)14-7(15-6)17-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15)
InChIKeySIMHGZRHYORXDF-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.18
Rot. Bonds5

About 4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 80859179) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID80859179
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-2-3-16-6-13-5(12)14-7(15-6)17-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15)
InChIKeySIMHGZRHYORXDF-UHFFFAOYSA-N
XLogP1.18
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 80859179) is 4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is SIMHGZRHYORXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-2-3-16-6-13-5(12)14-7(15-6)17-4-8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 252.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).