3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine

C9H13F2N3O — CID 103149020

IUPAC3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine
SMILESNC(CCOCC(F)F)c1cnccn1
InChIInChI=1S/C9H13F2N3O/c10-9(11)6-15-4-1-7(12)8-5-13-2-3-14-8/h2-3,5,7,9H,1,4,6,12H2
InChIKeyDWHGXROVFZXBFL-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.15
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine

3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine (PubChem CID 103149020) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine
PubChem CID103149020
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine
SMILESNC(CCOCC(F)F)c1cnccn1
InChIInChI=1S/C9H13F2N3O/c10-9(11)6-15-4-1-7(12)8-5-13-2-3-14-8/h2-3,5,7,9H,1,4,6,12H2
InChIKeyDWHGXROVFZXBFL-UHFFFAOYSA-N
XLogP1.15
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine (CID 103149020) is 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine is NC(CCOCC(F)F)c1cnccn1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is DWHGXROVFZXBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c10-9(11)6-15-4-1-7(12)8-5-13-2-3-14-8/h2-3,5,7,9H,1,4,6,12H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 217.22 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 103149020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).