3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole

C7H10F2N2O — CID 123366235

IUPAC3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole
SMILESCOCC(F)(F)c1ccn(C)n1
InChIInChI=1S/C7H10F2N2O/c1-11-4-3-6(10-11)7(8,9)5-12-2/h3-4H,5H2,1-2H3
InChIKeyWXROFENIUNNHCW-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.16
Rot. Bonds3

About 3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole

3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole (PubChem CID 123366235) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole
PubChem CID123366235
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole
SMILESCOCC(F)(F)c1ccn(C)n1
InChIInChI=1S/C7H10F2N2O/c1-11-4-3-6(10-11)7(8,9)5-12-2/h3-4H,5H2,1-2H3
InChIKeyWXROFENIUNNHCW-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole?
The IUPAC name of 3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole (CID 123366235) is 3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole.
What is the SMILES notation for 3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole?
The canonical SMILES for 3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole is COCC(F)(F)c1ccn(C)n1.
What is the InChIKey of 3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole?
The InChIKey is WXROFENIUNNHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-11-4-3-6(10-11)7(8,9)5-12-2/h3-4H,5H2,1-2H3.
What are the key properties of 3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole?
3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole has a molecular weight of 176.17 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-methoxyethyl)-1-methylpyrazole is sourced from PubChem (CID 123366235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).