6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine

C8H9ClF3N3 — CID 66468674

IUPAC6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESCN(CC(F)(F)F)c1cncc(CCl)n1
InChIInChI=1S/C8H9ClF3N3/c1-15(5-8(10,11)12)7-4-13-3-6(2-9)14-7/h3-4H,2,5H2,1H3
InChIKeyZBZOTDYBYAVMNF-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.21
Rot. Bonds3

About 6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine

6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (PubChem CID 66468674) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
PubChem CID66468674
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESCN(CC(F)(F)F)c1cncc(CCl)n1
InChIInChI=1S/C8H9ClF3N3/c1-15(5-8(10,11)12)7-4-13-3-6(2-9)14-7/h3-4H,2,5H2,1H3
InChIKeyZBZOTDYBYAVMNF-UHFFFAOYSA-N
XLogP2.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (CID 66468674) is 6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is CN(CC(F)(F)F)c1cncc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The InChIKey is ZBZOTDYBYAVMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-15(5-8(10,11)12)7-4-13-3-6(2-9)14-7/h3-4H,2,5H2,1H3.
What are the key properties of 6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine has a molecular weight of 239.63 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is sourced from PubChem (CID 66468674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).