2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol

C11H9F3N2O — CID 54978509

IUPAC2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol
SMILESOC(c1cnn(-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10(17)8-6-15-16(7-8)9-4-2-1-3-5-9/h1-7,10,17H
InChIKeyFFYRLQHGYWNWAI-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.47
Rot. Bonds2

About 2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol

2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol (PubChem CID 54978509) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol
PubChem CID54978509
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol
SMILESOC(c1cnn(-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10(17)8-6-15-16(7-8)9-4-2-1-3-5-9/h1-7,10,17H
InChIKeyFFYRLQHGYWNWAI-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.47
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-(1-phenylpyrazol-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol (CID 54978509) is 2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol is OC(c1cnn(-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol?
The InChIKey is FFYRLQHGYWNWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)10(17)8-6-15-16(7-8)9-4-2-1-3-5-9/h1-7,10,17H.
What are the key properties of 2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol?
2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol has a molecular weight of 242.20 g/mol, XLogP of 2.47, 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-(1-phenylpyrazol-4-yl)ethanol is sourced from PubChem (CID 54978509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).