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

C8H9F5N4O2 — CID 90275761

IUPAC4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCC(F)(F)COc1nc(N)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H9F5N4O2/c1-7(9,10)2-18-5-15-4(14)16-6(17-5)19-3-8(11,12)13/h2-3H2,1H3,(H2,14,15,16,17)
InChIKeySPUFIPKGBOWYOG-UHFFFAOYSA-N
MW288.18 g/mol
LogP1.43
Rot. Bonds5

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

4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 90275761) has the molecular formula C8H9F5N4O2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID90275761
Molecular FormulaC8H9F5N4O2
Molecular Weight288.18 g/mol
Exact Mass288.06
IUPAC Name4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCC(F)(F)COc1nc(N)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H9F5N4O2/c1-7(9,10)2-18-5-15-4(14)16-6(17-5)19-3-8(11,12)13/h2-3H2,1H3,(H2,14,15,16,17)
InChIKeySPUFIPKGBOWYOG-UHFFFAOYSA-N
XLogP1.43
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 90275761) is 4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CC(F)(F)COc1nc(N)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is SPUFIPKGBOWYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5N4O2/c1-7(9,10)2-18-5-15-4(14)16-6(17-5)19-3-8(11,12)13/h2-3H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 288.18 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90275761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).