5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole

C8H12F2N2O — CID 89341936

IUPAC5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(OCC(F)F)c1C
InChIInChI=1S/C8H12F2N2O/c1-5-6(2)11-12(3)8(5)13-4-7(9)10/h7H,4H2,1-3H3
InChIKeyIERUBMQQDSPUIY-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.68
Rot. Bonds3

About 5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole

5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole (PubChem CID 89341936) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole
PubChem CID89341936
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(OCC(F)F)c1C
InChIInChI=1S/C8H12F2N2O/c1-5-6(2)11-12(3)8(5)13-4-7(9)10/h7H,4H2,1-3H3
InChIKeyIERUBMQQDSPUIY-UHFFFAOYSA-N
XLogP1.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole?
The IUPAC name of 5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole (CID 89341936) is 5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole?
The canonical SMILES for 5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole is Cc1nn(C)c(OCC(F)F)c1C.
What is the InChIKey of 5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole?
The InChIKey is IERUBMQQDSPUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5-6(2)11-12(3)8(5)13-4-7(9)10/h7H,4H2,1-3H3.
What are the key properties of 5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole?
5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole has a molecular weight of 190.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-1,3,4-trimethylpyrazole is sourced from PubChem (CID 89341936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).