1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol

C9H11F3N2O — CID 68733028

IUPAC1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
SMILESCCC(O)(c1cnc(C)cn1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-3-8(15,9(10,11)12)7-5-13-6(2)4-14-7/h4-5,15H,3H2,1-2H3
InChIKeyNFKFTNZBGYHUJJ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.94
Rot. Bonds2

About 1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol

1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol (PubChem CID 68733028) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
PubChem CID68733028
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
SMILESCCC(O)(c1cnc(C)cn1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-3-8(15,9(10,11)12)7-5-13-6(2)4-14-7/h4-5,15H,3H2,1-2H3
InChIKeyNFKFTNZBGYHUJJ-UHFFFAOYSA-N
XLogP1.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol (CID 68733028) is 1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol is CCC(O)(c1cnc(C)cn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The InChIKey is NFKFTNZBGYHUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-3-8(15,9(10,11)12)7-5-13-6(2)4-14-7/h4-5,15H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol has a molecular weight of 220.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol is sourced from PubChem (CID 68733028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).