5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole

C9H4F8N4 — CID 141409287

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1c(-n2cccn2)n[nH]c1C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4F8N4/c10-7(11,9(15,16)17)5-4(8(12,13)14)6(20-19-5)21-3-1-2-18-21/h1-3H,(H,19,20)
InChIKeyRJCZTKWUZSOZSL-UHFFFAOYSA-N
MW320.14 g/mol
LogP3.27
Rot. Bonds2

About 5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole

5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 141409287) has the molecular formula C9H4F8N4 and a molecular weight of 320.14 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole
PubChem CID141409287
Molecular FormulaC9H4F8N4
Molecular Weight320.14 g/mol
Exact Mass320.03
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1c(-n2cccn2)n[nH]c1C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4F8N4/c10-7(11,9(15,16)17)5-4(8(12,13)14)6(20-19-5)21-3-1-2-18-21/h1-3H,(H,19,20)
InChIKeyRJCZTKWUZSOZSL-UHFFFAOYSA-N
XLogP3.27
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole (CID 141409287) is 5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1c(-n2cccn2)n[nH]c1C(F)(F)C(F)(F)F.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is RJCZTKWUZSOZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F8N4/c10-7(11,9(15,16)17)5-4(8(12,13)14)6(20-19-5)21-3-1-2-18-21/h1-3H,(H,19,20).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole?
5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 320.14 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-3-pyrazol-1-yl-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 141409287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).