2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol

C9H13F2N3O — CID 104860582

IUPAC2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol
SMILESCC(NCC(F)(F)CO)c1cnccn1
InChIInChI=1S/C9H13F2N3O/c1-7(8-4-12-2-3-13-8)14-5-9(10,11)6-15/h2-4,7,14-15H,5-6H2,1H3
InChIKeyOXFDXDXHCHERLF-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.75
Rot. Bonds5

About 2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol

2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol (PubChem CID 104860582) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol
PubChem CID104860582
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol
SMILESCC(NCC(F)(F)CO)c1cnccn1
InChIInChI=1S/C9H13F2N3O/c1-7(8-4-12-2-3-13-8)14-5-9(10,11)6-15/h2-4,7,14-15H,5-6H2,1H3
InChIKeyOXFDXDXHCHERLF-UHFFFAOYSA-N
XLogP0.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol (CID 104860582) is 2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol is CC(NCC(F)(F)CO)c1cnccn1.
What is the InChIKey of 2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol?
The InChIKey is OXFDXDXHCHERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-7(8-4-12-2-3-13-8)14-5-9(10,11)6-15/h2-4,7,14-15H,5-6H2,1H3.
What are the key properties of 2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol?
2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol has a molecular weight of 217.22 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1-pyrazin-2-ylethylamino)propan-1-ol is sourced from PubChem (CID 104860582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).