4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole

C5H3F5N2 — CID 87299095

IUPAC4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
SMILESFC(F)(F)C(F)(F)c1cn[nH]c1
InChIInChI=1S/C5H3F5N2/c6-4(7,5(8,9)10)3-1-11-12-2-3/h1-2H,(H,11,12)
InChIKeyUWPYUXCRUKUBPE-UHFFFAOYSA-N
MW186.08 g/mol
LogP2.06
Rot. Bonds1

About 4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole

4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole (PubChem CID 87299095) has the molecular formula C5H3F5N2 and a molecular weight of 186.08 g/mol. Its IUPAC name is 4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
PubChem CID87299095
Molecular FormulaC5H3F5N2
Molecular Weight186.08 g/mol
Exact Mass186.02
IUPAC Name4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
SMILESFC(F)(F)C(F)(F)c1cn[nH]c1
InChIInChI=1S/C5H3F5N2/c6-4(7,5(8,9)10)3-1-11-12-2-3/h1-2H,(H,11,12)
InChIKeyUWPYUXCRUKUBPE-UHFFFAOYSA-N
XLogP2.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
The IUPAC name of 4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole (CID 87299095) is 4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole.
What is the SMILES notation for 4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
The canonical SMILES for 4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole is FC(F)(F)C(F)(F)c1cn[nH]c1.
What is the InChIKey of 4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
The InChIKey is UWPYUXCRUKUBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5N2/c6-4(7,5(8,9)10)3-1-11-12-2-3/h1-2H,(H,11,12).
What are the key properties of 4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole has a molecular weight of 186.08 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole is sourced from PubChem (CID 87299095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).