5-(difluoromethoxy)-1-ethylpyrazole

C6H8F2N2O — CID 173201104

IUPAC5-(difluoromethoxy)-1-ethylpyrazole
SMILESCCn1nccc1OC(F)F
InChIInChI=1S/C6H8F2N2O/c1-2-10-5(3-4-9-10)11-6(7)8/h3-4,6H,2H2,1H3
InChIKeyRBRFLLCXSRBKQI-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.50
Rot. Bonds3

About 5-(difluoromethoxy)-1-ethylpyrazole

5-(difluoromethoxy)-1-ethylpyrazole (PubChem CID 173201104) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-ethylpyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-ethylpyrazole
PubChem CID173201104
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name5-(difluoromethoxy)-1-ethylpyrazole
SMILESCCn1nccc1OC(F)F
InChIInChI=1S/C6H8F2N2O/c1-2-10-5(3-4-9-10)11-6(7)8/h3-4,6H,2H2,1H3
InChIKeyRBRFLLCXSRBKQI-UHFFFAOYSA-N
XLogP1.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-ethylpyrazole?
The IUPAC name of 5-(difluoromethoxy)-1-ethylpyrazole (CID 173201104) is 5-(difluoromethoxy)-1-ethylpyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-1-ethylpyrazole?
The canonical SMILES for 5-(difluoromethoxy)-1-ethylpyrazole is CCn1nccc1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-1-ethylpyrazole?
The InChIKey is RBRFLLCXSRBKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-2-10-5(3-4-9-10)11-6(7)8/h3-4,6H,2H2,1H3.
What are the key properties of 5-(difluoromethoxy)-1-ethylpyrazole?
5-(difluoromethoxy)-1-ethylpyrazole has a molecular weight of 162.14 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-ethylpyrazole is sourced from PubChem (CID 173201104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).