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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Related Compounds

CID 6422219
CID 6422219
CID 11722838
CID 11722838
CID 14998085
CID 14998085
CID 28965606
CID 28965606
CID 91560620
CID 91560620
CID 23075667
CID 23075667
CID 15447206
CID 15447206
CID 86035367
CID 86035367
CID 178327549
CID 178327549
CID 119052331
CID 119052331
CID 12545119
CID 12545119
CID 1485578
CID 1485578

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).