N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine

C11H15F4N3O — CID 66450006

IUPACN-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H15F4N3O/c1-7(2)17-4-8-3-16-5-9(18-8)19-6-11(14,15)10(12)13/h3,5,7,10,17H,4,6H2,1-2H3
InChIKeyJQUYTYZHSHSVHV-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.25
Rot. Bonds7

About N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine

N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66450006) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66450006
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC NameN-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H15F4N3O/c1-7(2)17-4-8-3-16-5-9(18-8)19-6-11(14,15)10(12)13/h3,5,7,10,17H,4,6H2,1-2H3
InChIKeyJQUYTYZHSHSVHV-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine (CID 66450006) is N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cncc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is JQUYTYZHSHSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-7(2)17-4-8-3-16-5-9(18-8)19-6-11(14,15)10(12)13/h3,5,7,10,17H,4,6H2,1-2H3.
What are the key properties of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 281.25 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66450006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).