3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole

C7H10F2N2O — CID 170402551

IUPAC3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole
SMILESCc1cn(C)nc1OCC(F)F
InChIInChI=1S/C7H10F2N2O/c1-5-3-11(2)10-7(5)12-4-6(8)9/h3,6H,4H2,1-2H3
InChIKeyVMMGORFAQWNKII-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.37
Rot. Bonds3

About 3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole

3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole (PubChem CID 170402551) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole
PubChem CID170402551
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole
SMILESCc1cn(C)nc1OCC(F)F
InChIInChI=1S/C7H10F2N2O/c1-5-3-11(2)10-7(5)12-4-6(8)9/h3,6H,4H2,1-2H3
InChIKeyVMMGORFAQWNKII-UHFFFAOYSA-N
XLogP1.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole?
The IUPAC name of 3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole (CID 170402551) is 3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole is Cc1cn(C)nc1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole?
The InChIKey is VMMGORFAQWNKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-5-3-11(2)10-7(5)12-4-6(8)9/h3,6H,4H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole?
3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole has a molecular weight of 176.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1,4-dimethylpyrazole is sourced from PubChem (CID 170402551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).