N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C9H12F3N3O — CID 63826777

IUPACN-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cnccn1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-16-4-3-14-6-8-5-13-1-2-15-8/h1-2,5,14H,3-4,6-7H2
InChIKeyVUAHCDCZLCXHDM-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.15
Rot. Bonds6

About N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63826777) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63826777
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cnccn1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-16-4-3-14-6-8-5-13-1-2-15-8/h1-2,5,14H,3-4,6-7H2
InChIKeyVUAHCDCZLCXHDM-UHFFFAOYSA-N
XLogP1.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.15
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 N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63826777) is N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1cnccn1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VUAHCDCZLCXHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)7-16-4-3-14-6-8-5-13-1-2-15-8/h1-2,5,14H,3-4,6-7H2.
What are the key properties of N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 235.21 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63826777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).