1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol

C9H13FN2O — CID 174629747

IUPAC1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
SMILESCCC(O)(CF)c1cnc(C)cn1
InChIInChI=1S/C9H13FN2O/c1-3-9(13,6-10)8-5-11-7(2)4-12-8/h4-5,13H,3,6H2,1-2H3
InChIKeyRJLXPBKWWMCILB-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.35
Rot. Bonds3

About 1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol

1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol (PubChem CID 174629747) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
PubChem CID174629747
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
SMILESCCC(O)(CF)c1cnc(C)cn1
InChIInChI=1S/C9H13FN2O/c1-3-9(13,6-10)8-5-11-7(2)4-12-8/h4-5,13H,3,6H2,1-2H3
InChIKeyRJLXPBKWWMCILB-UHFFFAOYSA-N
XLogP1.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The IUPAC name of 1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol (CID 174629747) is 1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol.
What is the SMILES notation for 1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The canonical SMILES for 1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol is CCC(O)(CF)c1cnc(C)cn1.
What is the InChIKey of 1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The InChIKey is RJLXPBKWWMCILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-3-9(13,6-10)8-5-11-7(2)4-12-8/h4-5,13H,3,6H2,1-2H3.
What are the key properties of 1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol has a molecular weight of 184.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(5-methylpyrazin-2-yl)butan-2-ol is sourced from PubChem (CID 174629747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).