1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine

C8H10F3N3O — CID 82711774

IUPAC1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1cnccn1
InChIInChI=1S/C8H10F3N3O/c1-6(7-4-12-2-3-13-7)14-15-5-8(9,10)11/h2-4,6,14H,5H2,1H3
InChIKeyIPNVNFIOPREUGO-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.62
Rot. Bonds4

About 1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine

1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82711774) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82711774
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1cnccn1
InChIInChI=1S/C8H10F3N3O/c1-6(7-4-12-2-3-13-7)14-15-5-8(9,10)11/h2-4,6,14H,5H2,1H3
InChIKeyIPNVNFIOPREUGO-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82711774) is 1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine is CC(NOCC(F)(F)F)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is IPNVNFIOPREUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-6(7-4-12-2-3-13-7)14-15-5-8(9,10)11/h2-4,6,14H,5H2,1H3.
What are the key properties of 1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 221.18 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82711774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).