3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole

C10H5F5N2 — CID 118289701

IUPAC3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole
SMILESFc1cccc(F)c1-c1ccn(C(F)(F)F)n1
InChIInChI=1S/C10H5F5N2/c11-6-2-1-3-7(12)9(6)8-4-5-17(16-8)10(13,14)15/h1-5H
InChIKeyJDYMWZQPUNRMHY-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.30
Rot. Bonds1

About 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole

3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole (PubChem CID 118289701) has the molecular formula C10H5F5N2 and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole
PubChem CID118289701
Molecular FormulaC10H5F5N2
Molecular Weight248.15 g/mol
Exact Mass248.04
IUPAC Name3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole
SMILESFc1cccc(F)c1-c1ccn(C(F)(F)F)n1
InChIInChI=1S/C10H5F5N2/c11-6-2-1-3-7(12)9(6)8-4-5-17(16-8)10(13,14)15/h1-5H
InChIKeyJDYMWZQPUNRMHY-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole?
The IUPAC name of 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole (CID 118289701) is 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole is Fc1cccc(F)c1-c1ccn(C(F)(F)F)n1.
What is the InChIKey of 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole?
The InChIKey is JDYMWZQPUNRMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2/c11-6-2-1-3-7(12)9(6)8-4-5-17(16-8)10(13,14)15/h1-5H.
What are the key properties of 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole?
3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole has a molecular weight of 248.15 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118289701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).