(1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine

C6H6F3N3 — CID 55293918

IUPAC(1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine
SMILESN[C@@H](c1cnccn1)C(F)(F)F
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5(10)4-3-11-1-2-12-4/h1-3,5H,10H2/t5-/m0/s1
InChIKeyMNZVSCKKSJEFKM-YFKPBYRVSA-N
MW177.13 g/mol
LogP1.04
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine

(1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine (PubChem CID 55293918) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine
PubChem CID55293918
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name(1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine
SMILESN[C@@H](c1cnccn1)C(F)(F)F
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5(10)4-3-11-1-2-12-4/h1-3,5H,10H2/t5-/m0/s1
InChIKeyMNZVSCKKSJEFKM-YFKPBYRVSA-N
XLogP1.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine (CID 55293918) is (1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine is N[C@@H](c1cnccn1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine?
The InChIKey is MNZVSCKKSJEFKM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-6(8,9)5(10)4-3-11-1-2-12-4/h1-3,5H,10H2/t5-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine?
(1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine has a molecular weight of 177.13 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 55293918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).