1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol

C5H5F3N2O — CID 91561930

IUPAC1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol
SMILESOC(F)C(F)(F)c1cn[nH]c1
InChIInChI=1S/C5H5F3N2O/c6-4(11)5(7,8)3-1-9-10-2-3/h1-2,4,11H,(H,9,10)
InChIKeyDTLZHAPKOKEVHR-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.79
Rot. Bonds2

About 1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol

1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol (PubChem CID 91561930) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol
PubChem CID91561930
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol
SMILESOC(F)C(F)(F)c1cn[nH]c1
InChIInChI=1S/C5H5F3N2O/c6-4(11)5(7,8)3-1-9-10-2-3/h1-2,4,11H,(H,9,10)
InChIKeyDTLZHAPKOKEVHR-UHFFFAOYSA-N
XLogP0.79
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol?
The IUPAC name of 1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol (CID 91561930) is 1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol is OC(F)C(F)(F)c1cn[nH]c1.
What is the InChIKey of 1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol?
The InChIKey is DTLZHAPKOKEVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-4(11)5(7,8)3-1-9-10-2-3/h1-2,4,11H,(H,9,10).
What are the key properties of 1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol?
1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol has a molecular weight of 166.10 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-2-(1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 91561930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).