2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol

C12H11F3N2O — CID 66742969

IUPAC2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol
SMILESCn1cc(-c2ccccc2C(O)C(F)(F)F)cn1
InChIInChI=1S/C12H11F3N2O/c1-17-7-8(6-16-17)9-4-2-3-5-10(9)11(18)12(13,14)15/h2-7,11,18H,1H3
InChIKeyGLARNHMJQXHAQQ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.68
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol

2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol (PubChem CID 66742969) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol
PubChem CID66742969
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol
SMILESCn1cc(-c2ccccc2C(O)C(F)(F)F)cn1
InChIInChI=1S/C12H11F3N2O/c1-17-7-8(6-16-17)9-4-2-3-5-10(9)11(18)12(13,14)15/h2-7,11,18H,1H3
InChIKeyGLARNHMJQXHAQQ-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol (CID 66742969) is 2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol is Cn1cc(-c2ccccc2C(O)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol?
The InChIKey is GLARNHMJQXHAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-17-7-8(6-16-17)9-4-2-3-5-10(9)11(18)12(13,14)15/h2-7,11,18H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol?
2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol has a molecular weight of 256.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(1-methylpyrazol-4-yl)phenyl]ethanol is sourced from PubChem (CID 66742969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).