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

C8H11F3N4O2 — CID 80858918

IUPAC4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-4(2)17-7-14-5(12)13-6(15-7)16-3-8(9,10)11/h4H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyZTPOBHGYKFLCOS-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.18
Rot. Bonds4

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

4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 80858918) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID80858918
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-4(2)17-7-14-5(12)13-6(15-7)16-3-8(9,10)11/h4H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyZTPOBHGYKFLCOS-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

1,3,5-Triazine-2,4-diamine, N2,N2-dimethyl-6-(2,2,2-trifluoroethoxy)-
CID 10933513
6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 139595246
N-Methyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 625950
4,6-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 550572
6-(1-Methylethoxy)-1,3,5-triazine-2,4-diamine
CID 32722
4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
s-Triazine, 2-sec-butoxy-4,6-diamino-
CID 119787
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
1,3,5-Triazin-2-amine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-N-methyl-
CID 550369
[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-tert-butyl-amine
CID 3942678
N-[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethylethoxy)-[1,3,5]triazin-2-yl]hydroxylamine
CID 5086209
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 80858918) is 4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is ZTPOBHGYKFLCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-4(2)17-7-14-5(12)13-6(15-7)16-3-8(9,10)11/h4H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-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-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80858918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).