6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine

C8H9ClF3N3O — CID 61361800

IUPAC6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
SMILESFC(F)(F)COCCNc1cncc(Cl)n1
InChIInChI=1S/C8H9ClF3N3O/c9-6-3-13-4-7(15-6)14-1-2-16-5-8(10,11)12/h3-4H,1-2,5H2,(H,14,15)
InChIKeyOKPXAALCSITGEF-UHFFFAOYSA-N
MW255.63 g/mol
LogP2.12
Rot. Bonds5

About 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine

6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine (PubChem CID 61361800) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
PubChem CID61361800
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
SMILESFC(F)(F)COCCNc1cncc(Cl)n1
InChIInChI=1S/C8H9ClF3N3O/c9-6-3-13-4-7(15-6)14-1-2-16-5-8(10,11)12/h3-4H,1-2,5H2,(H,14,15)
InChIKeyOKPXAALCSITGEF-UHFFFAOYSA-N
XLogP2.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine (CID 61361800) is 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine is FC(F)(F)COCCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
The InChIKey is OKPXAALCSITGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c9-6-3-13-4-7(15-6)14-1-2-16-5-8(10,11)12/h3-4H,1-2,5H2,(H,14,15).
What are the key properties of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine?
6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine has a molecular weight of 255.63 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine is sourced from PubChem (CID 61361800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).