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

C9H11ClF3N3 — CID 66466872

IUPAC6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESCCN(CC(F)(F)F)c1cncc(CCl)n1
InChIInChI=1S/C9H11ClF3N3/c1-2-16(6-9(11,12)13)8-5-14-4-7(3-10)15-8/h4-5H,2-3,6H2,1H3
InChIKeyFUUPKNIJKBIBAW-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.60
Rot. Bonds4

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

6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (PubChem CID 66466872) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
PubChem CID66466872
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC Name6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESCCN(CC(F)(F)F)c1cncc(CCl)n1
InChIInChI=1S/C9H11ClF3N3/c1-2-16(6-9(11,12)13)8-5-14-4-7(3-10)15-8/h4-5H,2-3,6H2,1H3
InChIKeyFUUPKNIJKBIBAW-UHFFFAOYSA-N
XLogP2.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.60
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-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (CID 66466872) is 6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is CCN(CC(F)(F)F)c1cncc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The InChIKey is FUUPKNIJKBIBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-2-16(6-9(11,12)13)8-5-14-4-7(3-10)15-8/h4-5H,2-3,6H2,1H3.
What are the key properties of 6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine has a molecular weight of 253.65 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is sourced from PubChem (CID 66466872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).