1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole

C9H14F2N2O2 — CID 166770799

IUPAC1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole
SMILESCOCCOc1nn(CC(F)F)cc1C
InChIInChI=1S/C9H14F2N2O2/c1-7-5-13(6-8(10)11)12-9(7)15-4-3-14-2/h5,8H,3-4,6H2,1-2H3
InChIKeyWFCCPQNGSRSBNS-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.48
Rot. Bonds6

About 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole

1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole (PubChem CID 166770799) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole
PubChem CID166770799
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole
SMILESCOCCOc1nn(CC(F)F)cc1C
InChIInChI=1S/C9H14F2N2O2/c1-7-5-13(6-8(10)11)12-9(7)15-4-3-14-2/h5,8H,3-4,6H2,1-2H3
InChIKeyWFCCPQNGSRSBNS-UHFFFAOYSA-N
XLogP1.48
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole (CID 166770799) is 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole is COCCOc1nn(CC(F)F)cc1C.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole?
The InChIKey is WFCCPQNGSRSBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c1-7-5-13(6-8(10)11)12-9(7)15-4-3-14-2/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole?
1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole has a molecular weight of 220.22 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole is sourced from PubChem (CID 166770799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).