2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol

C9H13F2N3O — CID 107484967

IUPAC2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cnccn1)CC(F)F
InChIInChI=1S/C9H13F2N3O/c10-9(11)7-14(3-4-15)6-8-5-12-1-2-13-8/h1-2,5,9,15H,3-4,6-7H2
InChIKeyJMKKCGAQYAPHMY-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.54
Rot. Bonds6

About 2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol

2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol (PubChem CID 107484967) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol
PubChem CID107484967
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cnccn1)CC(F)F
InChIInChI=1S/C9H13F2N3O/c10-9(11)7-14(3-4-15)6-8-5-12-1-2-13-8/h1-2,5,9,15H,3-4,6-7H2
InChIKeyJMKKCGAQYAPHMY-UHFFFAOYSA-N
XLogP0.54
TPSA49.25 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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol (CID 107484967) is 2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol is OCCN(Cc1cnccn1)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol?
The InChIKey is JMKKCGAQYAPHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c10-9(11)7-14(3-4-15)6-8-5-12-1-2-13-8/h1-2,5,9,15H,3-4,6-7H2.
What are the key properties of 2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol?
2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol has a molecular weight of 217.22 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 107484967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).