4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine

C8H10F3N3 — CID 64565358

IUPAC4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine
SMILESNC(CCC(F)(F)F)c1cnccn1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)2-1-6(12)7-5-13-3-4-14-7/h3-6H,1-2,12H2
InChIKeyNJSJVQXOQGKTGW-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.82
Rot. Bonds3

About 4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine

4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine (PubChem CID 64565358) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine
PubChem CID64565358
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine
SMILESNC(CCC(F)(F)F)c1cnccn1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)2-1-6(12)7-5-13-3-4-14-7/h3-6H,1-2,12H2
InChIKeyNJSJVQXOQGKTGW-UHFFFAOYSA-N
XLogP1.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine (CID 64565358) is 4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine is NC(CCC(F)(F)F)c1cnccn1.
What is the InChIKey of 4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is NJSJVQXOQGKTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)2-1-6(12)7-5-13-3-4-14-7/h3-6H,1-2,12H2.
What are the key properties of 4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine?
4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 205.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 64565358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).