1-(difluoromethyl)-3-ethoxypyrazole

C6H8F2N2O — CID 118164917

IUPAC1-(difluoromethyl)-3-ethoxypyrazole
SMILESCCOc1ccn(C(F)F)n1
InChIInChI=1S/C6H8F2N2O/c1-2-11-5-3-4-10(9-5)6(7)8/h3-4,6H,2H2,1H3
InChIKeyGYGZQLQHOMHAQX-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.68
Rot. Bonds3

About 1-(difluoromethyl)-3-ethoxypyrazole

1-(difluoromethyl)-3-ethoxypyrazole (PubChem CID 118164917) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-ethoxypyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-ethoxypyrazole
PubChem CID118164917
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name1-(difluoromethyl)-3-ethoxypyrazole
SMILESCCOc1ccn(C(F)F)n1
InChIInChI=1S/C6H8F2N2O/c1-2-11-5-3-4-10(9-5)6(7)8/h3-4,6H,2H2,1H3
InChIKeyGYGZQLQHOMHAQX-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-ethoxypyrazole?
The IUPAC name of 1-(difluoromethyl)-3-ethoxypyrazole (CID 118164917) is 1-(difluoromethyl)-3-ethoxypyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3-ethoxypyrazole?
The canonical SMILES for 1-(difluoromethyl)-3-ethoxypyrazole is CCOc1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-3-ethoxypyrazole?
The InChIKey is GYGZQLQHOMHAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-2-11-5-3-4-10(9-5)6(7)8/h3-4,6H,2H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-ethoxypyrazole?
1-(difluoromethyl)-3-ethoxypyrazole has a molecular weight of 162.14 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 1-(difluoromethyl)-3-ethoxypyrazole is sourced from PubChem (CID 118164917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).