5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole

C6H5F5N2O — CID 90981391

IUPAC5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)OCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C6H5F5N2O/c7-5(8)14-2-3-1-4(13-12-3)6(9,10)11/h1,5H,2H2,(H,12,13)
InChIKeyQUODBGXPIKGXID-UHFFFAOYSA-N
MW216.11 g/mol
LogP2.17
Rot. Bonds3

About 5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole

5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 90981391) has the molecular formula C6H5F5N2O and a molecular weight of 216.11 g/mol. Its IUPAC name is 5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
PubChem CID90981391
Molecular FormulaC6H5F5N2O
Molecular Weight216.11 g/mol
Exact Mass216.03
IUPAC Name5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)OCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C6H5F5N2O/c7-5(8)14-2-3-1-4(13-12-3)6(9,10)11/h1,5H,2H2,(H,12,13)
InChIKeyQUODBGXPIKGXID-UHFFFAOYSA-N
XLogP2.17
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole (CID 90981391) is 5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole is FC(F)OCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is QUODBGXPIKGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2O/c7-5(8)14-2-3-1-4(13-12-3)6(9,10)11/h1,5H,2H2,(H,12,13).
What are the key properties of 5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 216.11 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 90981391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).