2,2-difluoro-1-pyrazin-2-ylpropan-1-ol

C7H8F2N2O — CID 130913914

IUPAC2,2-difluoro-1-pyrazin-2-ylpropan-1-ol
SMILESCC(F)(F)C(O)c1cnccn1
InChIInChI=1S/C7H8F2N2O/c1-7(8,9)6(12)5-4-10-2-3-11-5/h2-4,6,12H,1H3
InChIKeyMDMMZGDBXJQZNY-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.17
Rot. Bonds2

About 2,2-difluoro-1-pyrazin-2-ylpropan-1-ol

2,2-difluoro-1-pyrazin-2-ylpropan-1-ol (PubChem CID 130913914) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 2,2-difluoro-1-pyrazin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-1-pyrazin-2-ylpropan-1-ol
PubChem CID130913914
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name2,2-difluoro-1-pyrazin-2-ylpropan-1-ol
SMILESCC(F)(F)C(O)c1cnccn1
InChIInChI=1S/C7H8F2N2O/c1-7(8,9)6(12)5-4-10-2-3-11-5/h2-4,6,12H,1H3
InChIKeyMDMMZGDBXJQZNY-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Pyrazin-2-yl)ethan-1-ol
CID 573013
(1R)-1-(pyrazin-2-yl)ethan-1-ol
CID 15032166
1-(5-Chloropyrazin-2-yl)-2,2,2-trifluoroethan-1-ol
CID 146049012
(1S)-1-(pyrazin-2-yl)ethan-1-ol
CID 51656285
1-(3-Fluoropyrazin-2-yl)ethanol
CID 15369689
1,1,1-Trifluoro-2-pyrazin-2-ylpropan-2-ol
CID 64189694
1,1,1-Trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
CID 68733028
4,4,4-Trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
CID 68733030
1,1-Difluoro-2-[5-(hydroxymethyl)pyrazin-2-yl]propan-2-ol
CID 69608293
(6-(Trifluoromethyl)pyrazin-2-YL)methanol
CID 72212353
6-(Difluoromethyl)-2-pyrazinemethanol
CID 84651000
5-(Difluoromethyl)-2-pyrazinemethanol
CID 84651001

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-pyrazin-2-ylpropan-1-ol?
The IUPAC name of 2,2-difluoro-1-pyrazin-2-ylpropan-1-ol (CID 130913914) is 2,2-difluoro-1-pyrazin-2-ylpropan-1-ol.
What is the SMILES notation for 2,2-difluoro-1-pyrazin-2-ylpropan-1-ol?
The canonical SMILES for 2,2-difluoro-1-pyrazin-2-ylpropan-1-ol is CC(F)(F)C(O)c1cnccn1.
What is the InChIKey of 2,2-difluoro-1-pyrazin-2-ylpropan-1-ol?
The InChIKey is MDMMZGDBXJQZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-7(8,9)6(12)5-4-10-2-3-11-5/h2-4,6,12H,1H3.
What are the key properties of 2,2-difluoro-1-pyrazin-2-ylpropan-1-ol?
2,2-difluoro-1-pyrazin-2-ylpropan-1-ol has a molecular weight of 174.15 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-pyrazin-2-ylpropan-1-ol is sourced from PubChem (CID 130913914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).