2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol

C8H11F3N2O — CID 164562706

IUPAC2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O/c1-7(2,14)6-3-12-13(4-6)5-8(9,10)11/h3-4,14H,5H2,1-2H3
InChIKeyQGGCAKIASWOSEJ-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.67
Rot. Bonds2

About 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol

2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol (PubChem CID 164562706) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol
PubChem CID164562706
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O/c1-7(2,14)6-3-12-13(4-6)5-8(9,10)11/h3-4,14H,5H2,1-2H3
InChIKeyQGGCAKIASWOSEJ-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol (CID 164562706) is 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol is CC(C)(O)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol?
The InChIKey is QGGCAKIASWOSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-7(2,14)6-3-12-13(4-6)5-8(9,10)11/h3-4,14H,5H2,1-2H3.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol?
2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol has a molecular weight of 208.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 164562706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).