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

C11H15F4N3O — CID 66449812

IUPACN-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H15F4N3O/c1-2-3-16-4-8-5-17-6-9(18-8)19-7-11(14,15)10(12)13/h5-6,10,16H,2-4,7H2,1H3
InChIKeyQFJIQUWMPUQMOL-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.26
Rot. Bonds8

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

N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66449812) 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-1-amine.

Molecular Properties

Compound NameN-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID66449812
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC NameN-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H15F4N3O/c1-2-3-16-4-8-5-17-6-9(18-8)19-7-11(14,15)10(12)13/h5-6,10,16H,2-4,7H2,1H3
InChIKeyQFJIQUWMPUQMOL-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-1-amine?
The IUPAC name of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine (CID 66449812) is N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cncc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is QFJIQUWMPUQMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-2-3-16-4-8-5-17-6-9(18-8)19-7-11(14,15)10(12)13/h5-6,10,16H,2-4,7H2,1H3.
What are the key properties of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine?
N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 281.25 g/mol, XLogP of 2.26, 8 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-1-amine is sourced from PubChem (CID 66449812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).