2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol

C6H7F3N2O — CID 19616490

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5-1-2-11(10-5)3-4-12/h1-2,12H,3-4H2
InChIKeyCOJCHMBQAMZKIX-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.89
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol

2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 19616490) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID19616490
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5-1-2-11(10-5)3-4-12/h1-2,12H,3-4H2
InChIKeyCOJCHMBQAMZKIX-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 19616490) is 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol is OCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is COJCHMBQAMZKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)5-1-2-11(10-5)3-4-12/h1-2,12H,3-4H2.
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 180.13 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 19616490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).