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

C6H5F5N2O — CID 59739605

IUPAC3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(OC(F)F)cc1C(F)(F)F
InChIInChI=1S/C6H5F5N2O/c1-13-3(6(9,10)11)2-4(12-13)14-5(7)8/h2,5H,1H3
InChIKeyACNRKDJWJIYLDQ-UHFFFAOYSA-N
MW216.11 g/mol
LogP2.04
Rot. Bonds2

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

3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 59739605) has the molecular formula C6H5F5N2O and a molecular weight of 216.11 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID59739605
Molecular FormulaC6H5F5N2O
Molecular Weight216.11 g/mol
Exact Mass216.03
IUPAC Name3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(OC(F)F)cc1C(F)(F)F
InChIInChI=1S/C6H5F5N2O/c1-13-3(6(9,10)11)2-4(12-13)14-5(7)8/h2,5H,1H3
InChIKeyACNRKDJWJIYLDQ-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 3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole (CID 59739605) is 3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(OC(F)F)cc1C(F)(F)F.
What is the InChIKey of 3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is ACNRKDJWJIYLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2O/c1-13-3(6(9,10)11)2-4(12-13)14-5(7)8/h2,5H,1H3.
What are the key properties of 3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole?
3-(difluoromethoxy)-1-methyl-5-(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 3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59739605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).