5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole

C6H6F4N2O — CID 69350282

IUPAC5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1OCF
InChIInChI=1S/C6H6F4N2O/c1-12-5(13-3-7)2-4(11-12)6(8,9)10/h2H,3H2,1H3
InChIKeyVGDZUTUYFBXGBY-UHFFFAOYSA-N
MW198.12 g/mol
LogP1.74
Rot. Bonds2

About 5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole

5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 69350282) has the molecular formula C6H6F4N2O and a molecular weight of 198.12 g/mol. Its IUPAC name is 5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID69350282
Molecular FormulaC6H6F4N2O
Molecular Weight198.12 g/mol
Exact Mass198.04
IUPAC Name5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1OCF
InChIInChI=1S/C6H6F4N2O/c1-12-5(13-3-7)2-4(11-12)6(8,9)10/h2H,3H2,1H3
InChIKeyVGDZUTUYFBXGBY-UHFFFAOYSA-N
XLogP1.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole (CID 69350282) is 5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1OCF.
What is the InChIKey of 5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is VGDZUTUYFBXGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4N2O/c1-12-5(13-3-7)2-4(11-12)6(8,9)10/h2H,3H2,1H3.
What are the key properties of 5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 198.12 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 69350282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).