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

C5H4ClF3N4O — CID 80859005

IUPAC4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C5H4ClF3N4O/c6-2-11-3(10)13-4(12-2)14-1-5(7,8)9/h1H2,(H2,10,11,12,13)
InChIKeyNFXPFJUQGVOOHY-UHFFFAOYSA-N
MW228.56 g/mol
LogP1.05
Rot. Bonds2

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

4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 80859005) has the molecular formula C5H4ClF3N4O and a molecular weight of 228.56 g/mol. Its IUPAC name is 4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID80859005
Molecular FormulaC5H4ClF3N4O
Molecular Weight228.56 g/mol
Exact Mass228.00
IUPAC Name4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C5H4ClF3N4O/c6-2-11-3(10)13-4(12-2)14-1-5(7,8)9/h1H2,(H2,10,11,12,13)
InChIKeyNFXPFJUQGVOOHY-UHFFFAOYSA-N
XLogP1.05
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.56
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 80859005) is 4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is NFXPFJUQGVOOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N4O/c6-2-11-3(10)13-4(12-2)14-1-5(7,8)9/h1H2,(H2,10,11,12,13).
What are the key properties of 4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 228.56 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).