3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole

C10H4F6N2 — CID 79194874

IUPAC3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole
SMILESFc1cc(-n2ccc(C(F)(F)F)n2)cc(F)c1F
InChIInChI=1S/C10H4F6N2/c11-6-3-5(4-7(12)9(6)13)18-2-1-8(17-18)10(14,15)16/h1-4H
InChIKeyJOEPHXFXKMSEBB-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.31
Rot. Bonds1

About 3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole

3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole (PubChem CID 79194874) has the molecular formula C10H4F6N2 and a molecular weight of 266.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole
PubChem CID79194874
Molecular FormulaC10H4F6N2
Molecular Weight266.14 g/mol
Exact Mass266.03
IUPAC Name3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole
SMILESFc1cc(-n2ccc(C(F)(F)F)n2)cc(F)c1F
InChIInChI=1S/C10H4F6N2/c11-6-3-5(4-7(12)9(6)13)18-2-1-8(17-18)10(14,15)16/h1-4H
InChIKeyJOEPHXFXKMSEBB-UHFFFAOYSA-N
XLogP3.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole?
The IUPAC name of 3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole (CID 79194874) is 3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole.
What is the SMILES notation for 3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole?
The canonical SMILES for 3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole is Fc1cc(-n2ccc(C(F)(F)F)n2)cc(F)c1F.
What is the InChIKey of 3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole?
The InChIKey is JOEPHXFXKMSEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2/c11-6-3-5(4-7(12)9(6)13)18-2-1-8(17-18)10(14,15)16/h1-4H.
What are the key properties of 3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole?
3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole has a molecular weight of 266.14 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole is sourced from PubChem (CID 79194874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).