5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole

C8H11F3N2O — CID 134587385

IUPAC5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole
SMILESCC(C)(COc1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-7(2,8(9,10)11)5-14-6-3-4-12-13-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyOHQIFTIZKKGGFT-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.38
Rot. Bonds3

About 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole

5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole (PubChem CID 134587385) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole
PubChem CID134587385
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole
SMILESCC(C)(COc1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-7(2,8(9,10)11)5-14-6-3-4-12-13-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyOHQIFTIZKKGGFT-UHFFFAOYSA-N
XLogP2.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole?
The IUPAC name of 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole (CID 134587385) is 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole.
What is the SMILES notation for 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole?
The canonical SMILES for 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole is CC(C)(COc1ccn[nH]1)C(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole?
The InChIKey is OHQIFTIZKKGGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-7(2,8(9,10)11)5-14-6-3-4-12-13-6/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole?
5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole has a molecular weight of 208.18 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole is sourced from PubChem (CID 134587385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).