2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine

C12H17F4N3O — CID 66449416

IUPAC2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C12H17F4N3O/c1-8(2)3-17-4-9-5-18-6-10(19-9)20-7-12(15,16)11(13)14/h5-6,8,11,17H,3-4,7H2,1-2H3
InChIKeyUKWZUCRFNYINHO-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.50
Rot. Bonds8

About 2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine

2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66449416) has the molecular formula C12H17F4N3O and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID66449416
Molecular FormulaC12H17F4N3O
Molecular Weight295.28 g/mol
Exact Mass295.13
IUPAC Name2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C12H17F4N3O/c1-8(2)3-17-4-9-5-18-6-10(19-9)20-7-12(15,16)11(13)14/h5-6,8,11,17H,3-4,7H2,1-2H3
InChIKeyUKWZUCRFNYINHO-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.50
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 2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine (CID 66449416) is 2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine is CC(C)CNCc1cncc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is UKWZUCRFNYINHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4N3O/c1-8(2)3-17-4-9-5-18-6-10(19-9)20-7-12(15,16)11(13)14/h5-6,8,11,17H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 295.28 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66449416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).