2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine

C8H11F3N4O — CID 78989007

IUPAC2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine
SMILESNc1cncc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)5-16-2-1-14-7-4-13-3-6(12)15-7/h3-4H,1-2,5H2,(H3,12,14,15)
InChIKeyXLFBOAAIPVNKGC-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.05
Rot. Bonds5

About 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine

2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine (PubChem CID 78989007) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine
PubChem CID78989007
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine
SMILESNc1cncc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)5-16-2-1-14-7-4-13-3-6(12)15-7/h3-4H,1-2,5H2,(H3,12,14,15)
InChIKeyXLFBOAAIPVNKGC-UHFFFAOYSA-N
XLogP1.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine (CID 78989007) is 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine is Nc1cncc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine?
The InChIKey is XLFBOAAIPVNKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)5-16-2-1-14-7-4-13-3-6(12)15-7/h3-4H,1-2,5H2,(H3,12,14,15).
What are the key properties of 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine?
2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine has a molecular weight of 236.20 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine is sourced from PubChem (CID 78989007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).