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

C6H5F5N2O — CID 56605347

IUPAC5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C6H5F5N2O/c1-13-4(14-5(7)8)2-3(12-13)6(9,10)11/h2,5H,1H3
InChIKeyDLWVOWQFNAIZHY-UHFFFAOYSA-N
MW216.11 g/mol
LogP2.04
Rot. Bonds2

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

5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 56605347) has the molecular formula C6H5F5N2O and a molecular weight of 216.11 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID56605347
Molecular FormulaC6H5F5N2O
Molecular Weight216.11 g/mol
Exact Mass216.03
IUPAC Name5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C6H5F5N2O/c1-13-4(14-5(7)8)2-3(12-13)6(9,10)11/h2,5H,1H3
InChIKeyDLWVOWQFNAIZHY-UHFFFAOYSA-N
XLogP2.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole (CID 56605347) is 5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is DLWVOWQFNAIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2O/c1-13-4(14-5(7)8)2-3(12-13)6(9,10)11/h2,5H,1H3.
What are the key properties of 5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole?
5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 216.11 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 56605347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).