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

C7H8F2N2O2 — CID 135125181

IUPAC2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol
SMILESCOc1cnc(C(F)(F)CO)cn1
InChIInChI=1S/C7H8F2N2O2/c1-13-6-3-10-5(2-11-6)7(8,9)4-12/h2-3,12H,4H2,1H3
InChIKeyWEDUYDRIHAMYPL-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.57
Rot. Bonds3

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

2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol (PubChem CID 135125181) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol
PubChem CID135125181
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol
SMILESCOc1cnc(C(F)(F)CO)cn1
InChIInChI=1S/C7H8F2N2O2/c1-13-6-3-10-5(2-11-6)7(8,9)4-12/h2-3,12H,4H2,1H3
InChIKeyWEDUYDRIHAMYPL-UHFFFAOYSA-N
XLogP0.57
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol (CID 135125181) is 2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol is COc1cnc(C(F)(F)CO)cn1.
What is the InChIKey of 2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol?
The InChIKey is WEDUYDRIHAMYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-13-6-3-10-5(2-11-6)7(8,9)4-12/h2-3,12H,4H2,1H3.
What are the key properties of 2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol?
2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol has a molecular weight of 190.15 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(5-methoxypyrazin-2-yl)ethanol is sourced from PubChem (CID 135125181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).