2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol

C8H11F3N2O — CID 174582215

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol
SMILESCCC(C)(O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O/c1-3-7(2,14)13-5-4-6(12-13)8(9,10)11/h4-5,14H,3H2,1-2H3
InChIKeyKOOUJNOEGVXAIH-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.98
Rot. Bonds2

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

2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol (PubChem CID 174582215) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol
PubChem CID174582215
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol
SMILESCCC(C)(O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O/c1-3-7(2,14)13-5-4-6(12-13)8(9,10)11/h4-5,14H,3H2,1-2H3
InChIKeyKOOUJNOEGVXAIH-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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]butan-2-ol?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol (CID 174582215) is 2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol is CCC(C)(O)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol?
The InChIKey is KOOUJNOEGVXAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-7(2,14)13-5-4-6(12-13)8(9,10)11/h4-5,14H,3H2,1-2H3.
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol?
2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol has a molecular weight of 208.18 g/mol, XLogP of 1.98, 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]butan-2-ol is sourced from PubChem (CID 174582215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).