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

C9H12ClF3N4O — CID 55124473

IUPAC4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C9H12ClF3N4O/c1-3-17(4-2)7-14-6(10)15-8(16-7)18-5-9(11,12)13/h3-5H2,1-2H3
InChIKeyHXZMFKHOCILZAP-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.31
Rot. Bonds5

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

4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 55124473) has the molecular formula C9H12ClF3N4O and a molecular weight of 284.67 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID55124473
Molecular FormulaC9H12ClF3N4O
Molecular Weight284.67 g/mol
Exact Mass284.07
IUPAC Name4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C9H12ClF3N4O/c1-3-17(4-2)7-14-6(10)15-8(16-7)18-5-9(11,12)13/h3-5H2,1-2H3
InChIKeyHXZMFKHOCILZAP-UHFFFAOYSA-N
XLogP2.31
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 55124473) is 4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is HXZMFKHOCILZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N4O/c1-3-17(4-2)7-14-6(10)15-8(16-7)18-5-9(11,12)13/h3-5H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 284.67 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).