1-(1,1,2,2,2-pentafluoroethyl)pyrazole

C5H3F5N2 — CID 87584131

IUPAC1-(1,1,2,2,2-pentafluoroethyl)pyrazole
SMILESFC(F)(F)C(F)(F)n1cccn1
InChIInChI=1S/C5H3F5N2/c6-4(7,8)5(9,10)12-3-1-2-11-12/h1-3H
InChIKeyXHCSZHLBSODOQW-UHFFFAOYSA-N
MW186.08 g/mol
LogP1.99
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)pyrazole

1-(1,1,2,2,2-pentafluoroethyl)pyrazole (PubChem CID 87584131) has the molecular formula C5H3F5N2 and a molecular weight of 186.08 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)pyrazole.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)pyrazole
PubChem CID87584131
Molecular FormulaC5H3F5N2
Molecular Weight186.08 g/mol
Exact Mass186.02
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)pyrazole
SMILESFC(F)(F)C(F)(F)n1cccn1
InChIInChI=1S/C5H3F5N2/c6-4(7,8)5(9,10)12-3-1-2-11-12/h1-3H
InChIKeyXHCSZHLBSODOQW-UHFFFAOYSA-N
XLogP1.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)pyrazole (CID 87584131) is 1-(1,1,2,2,2-pentafluoroethyl)pyrazole.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)pyrazole is FC(F)(F)C(F)(F)n1cccn1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)pyrazole?
The InChIKey is XHCSZHLBSODOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5N2/c6-4(7,8)5(9,10)12-3-1-2-11-12/h1-3H.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)pyrazole?
1-(1,1,2,2,2-pentafluoroethyl)pyrazole has a molecular weight of 186.08 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)pyrazole is sourced from PubChem (CID 87584131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).