2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol

C7H8F2N2O — CID 118938511

IUPAC2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol
SMILESCc1cnc(C(F)(F)CO)cn1
InChIInChI=1S/C7H8F2N2O/c1-5-2-11-6(3-10-5)7(8,9)4-12/h2-3,12H,4H2,1H3
InChIKeyUUGGJYOOFGQUJY-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.87
Rot. Bonds2

About 2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol

2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol (PubChem CID 118938511) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol
PubChem CID118938511
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol
SMILESCc1cnc(C(F)(F)CO)cn1
InChIInChI=1S/C7H8F2N2O/c1-5-2-11-6(3-10-5)7(8,9)4-12/h2-3,12H,4H2,1H3
InChIKeyUUGGJYOOFGQUJY-UHFFFAOYSA-N
XLogP0.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol (CID 118938511) is 2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol is Cc1cnc(C(F)(F)CO)cn1.
What is the InChIKey of 2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol?
The InChIKey is UUGGJYOOFGQUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-5-2-11-6(3-10-5)7(8,9)4-12/h2-3,12H,4H2,1H3.
What are the key properties of 2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol?
2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol has a molecular weight of 174.15 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(5-methylpyrazin-2-yl)ethanol is sourced from PubChem (CID 118938511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).