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

C7H8ClF3N4O — CID 103213749

IUPAC4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C7H8ClF3N4O/c8-5-13-4(14-6(12)15-5)1-2-16-3-7(9,10)11/h1-3H2,(H2,12,13,14,15)
InChIKeyLJKNNWQTVMHUOT-UHFFFAOYSA-N
MW256.61 g/mol
LogP1.23
Rot. Bonds4

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

4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103213749) has the molecular formula C7H8ClF3N4O and a molecular weight of 256.61 g/mol. Its IUPAC name is 4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103213749
Molecular FormulaC7H8ClF3N4O
Molecular Weight256.61 g/mol
Exact Mass256.03
IUPAC Name4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C7H8ClF3N4O/c8-5-13-4(14-6(12)15-5)1-2-16-3-7(9,10)11/h1-3H2,(H2,12,13,14,15)
InChIKeyLJKNNWQTVMHUOT-UHFFFAOYSA-N
XLogP1.23
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.61
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103206958
6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine
CID 3481315
4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 83241671
3-chloro-5-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 103146120
3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine
CID 103150794
5-bromo-4-chloro-6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
CID 103146715
2,3-dimethyl-3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103146017
4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine
CID 83241885
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208740
N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150288
5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103213749) is 4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is LJKNNWQTVMHUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N4O/c8-5-13-4(14-6(12)15-5)1-2-16-3-7(9,10)11/h1-3H2,(H2,12,13,14,15).
What are the key properties of 4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 256.61 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103213749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).