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

C8H10F3N3O — CID 103215348

IUPAC1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1cnccn1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)5-15-4-6(12)7-3-13-1-2-14-7/h1-3,6H,4-5,12H2
InChIKeyXEYLSPHSQFKBRG-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.06
Rot. Bonds4

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

1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215348) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215348
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1cnccn1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)5-15-4-6(12)7-3-13-1-2-14-7/h1-3,6H,4-5,12H2
InChIKeyXEYLSPHSQFKBRG-UHFFFAOYSA-N
XLogP1.06
TPSA61.03 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(pyrazin-2-yl)ethan-1-ol dihydrochloride
CID 165590941
2-(1,1-Difluoro-2-methoxyethyl)pyrazine
CID 151953730
N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63826777
2-Pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 64190730
1-pyrazin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64191748
1-pyrazin-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711774
2-Amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol
CID 84661840
2-Amino-2-[6-(difluoromethyl)pyrazin-2-yl]ethanol
CID 84661842
(2R)-2-amino-2-(pyrazin-2-yl)ethan-1-ol
CID 96637374
N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine
CID 103080648
3-(2,2-Difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine
CID 103149020
3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 103149349

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215348) is 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is XEYLSPHSQFKBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)5-15-4-6(12)7-3-13-1-2-14-7/h1-3,6H,4-5,12H2.
What are the key properties of 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 221.18 g/mol, XLogP of 1.06, 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-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).