N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C11H15F4N3O — CID 103475841

IUPACN-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)c1cnccn1
InChIInChI=1S/C11H15F4N3O/c1-2-17-9(8-5-16-3-4-18-8)6-19-7-11(14,15)10(12)13/h3-5,9-10,17H,2,6-7H2,1H3
InChIKeyAFKFSINPHUBRAF-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.04
Rot. Bonds8

About N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475841) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475841
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC NameN-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)c1cnccn1
InChIInChI=1S/C11H15F4N3O/c1-2-17-9(8-5-16-3-4-18-8)6-19-7-11(14,15)10(12)13/h3-5,9-10,17H,2,6-7H2,1H3
InChIKeyAFKFSINPHUBRAF-UHFFFAOYSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 146537710
1-[5-(2,2-difluoropropoxy)pyrazin-2-yl]-N-methylethanamine
CID 146538355
(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol
CID 171475088
N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55122186
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
N-[(5-methylpyrazin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65806253
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
1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 102612559

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475841) is N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCNC(COCC(F)(F)C(F)F)c1cnccn1.
What is the InChIKey of N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is AFKFSINPHUBRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-2-17-9(8-5-16-3-4-18-8)6-19-7-11(14,15)10(12)13/h3-5,9-10,17H,2,6-7H2,1H3.
What are the key properties of N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 281.25 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).