N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine

C12H17F4N3O — CID 103475958

IUPACN-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)c1cnccn1
InChIInChI=1S/C12H17F4N3O/c1-2-3-18-10(9-6-17-4-5-19-9)7-20-8-12(15,16)11(13)14/h4-6,10-11,18H,2-3,7-8H2,1H3
InChIKeyGDINUCSNKGJGFS-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.43
Rot. Bonds9

About N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine

N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (PubChem CID 103475958) has the molecular formula C12H17F4N3O and a molecular weight of 295.28 g/mol. Its IUPAC name is N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
PubChem CID103475958
Molecular FormulaC12H17F4N3O
Molecular Weight295.28 g/mol
Exact Mass295.13
IUPAC NameN-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)c1cnccn1
InChIInChI=1S/C12H17F4N3O/c1-2-3-18-10(9-6-17-4-5-19-9)7-20-8-12(15,16)11(13)14/h4-6,10-11,18H,2-3,7-8H2,1H3
InChIKeyGDINUCSNKGJGFS-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.43
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

(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-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62846087
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
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
N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine
CID 103080648
3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 103149349

Frequently Asked Questions

What is the IUPAC name of N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (CID 103475958) is N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)C(F)F)c1cnccn1.
What is the InChIKey of N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The InChIKey is GDINUCSNKGJGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4N3O/c1-2-3-18-10(9-6-17-4-5-19-9)7-20-8-12(15,16)11(13)14/h4-6,10-11,18H,2-3,7-8H2,1H3.
What are the key properties of N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine has a molecular weight of 295.28 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103475958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).