3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol

C7H7F3N2O — CID 63967970

IUPAC3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol
SMILESOC(CC(F)(F)F)c1cnccn1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)3-6(13)5-4-11-1-2-12-5/h1-2,4,6,13H,3H2
InChIKeyDLFYKAIVIDIZBF-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.46
Rot. Bonds2

About 3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol

3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol (PubChem CID 63967970) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol
PubChem CID63967970
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol
SMILESOC(CC(F)(F)F)c1cnccn1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)3-6(13)5-4-11-1-2-12-5/h1-2,4,6,13H,3H2
InChIKeyDLFYKAIVIDIZBF-UHFFFAOYSA-N
XLogP1.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol (CID 63967970) is 3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol is OC(CC(F)(F)F)c1cnccn1.
What is the InChIKey of 3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol?
The InChIKey is DLFYKAIVIDIZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)3-6(13)5-4-11-1-2-12-5/h1-2,4,6,13H,3H2.
What are the key properties of 3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol?
3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol has a molecular weight of 192.14 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-ol is sourced from PubChem (CID 63967970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).