1-fluoro-2-pyrazin-2-ylpropan-2-ol

C7H9FN2O — CID 175852188

IUPAC1-fluoro-2-pyrazin-2-ylpropan-2-ol
SMILESCC(O)(CF)c1cnccn1
InChIInChI=1S/C7H9FN2O/c1-7(11,5-8)6-4-9-2-3-10-6/h2-4,11H,5H2,1H3
InChIKeyKZZPMOWADZFXHP-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.65
Rot. Bonds2

About 1-fluoro-2-pyrazin-2-ylpropan-2-ol

1-fluoro-2-pyrazin-2-ylpropan-2-ol (PubChem CID 175852188) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-fluoro-2-pyrazin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-pyrazin-2-ylpropan-2-ol
PubChem CID175852188
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-fluoro-2-pyrazin-2-ylpropan-2-ol
SMILESCC(O)(CF)c1cnccn1
InChIInChI=1S/C7H9FN2O/c1-7(11,5-8)6-4-9-2-3-10-6/h2-4,11H,5H2,1H3
InChIKeyKZZPMOWADZFXHP-UHFFFAOYSA-N
XLogP0.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-pyrazin-2-ylpropan-2-ol?
The IUPAC name of 1-fluoro-2-pyrazin-2-ylpropan-2-ol (CID 175852188) is 1-fluoro-2-pyrazin-2-ylpropan-2-ol.
What is the SMILES notation for 1-fluoro-2-pyrazin-2-ylpropan-2-ol?
The canonical SMILES for 1-fluoro-2-pyrazin-2-ylpropan-2-ol is CC(O)(CF)c1cnccn1.
What is the InChIKey of 1-fluoro-2-pyrazin-2-ylpropan-2-ol?
The InChIKey is KZZPMOWADZFXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-7(11,5-8)6-4-9-2-3-10-6/h2-4,11H,5H2,1H3.
What are the key properties of 1-fluoro-2-pyrazin-2-ylpropan-2-ol?
1-fluoro-2-pyrazin-2-ylpropan-2-ol has a molecular weight of 156.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-pyrazin-2-ylpropan-2-ol is sourced from PubChem (CID 175852188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).