potassium 4-(trifluoromethyl)pyrazol-1-ide

C4H2F3KN2 — CID 58711209

IUPACpotassium 4-(trifluoromethyl)pyrazol-1-ide
SMILESFC(F)(F)c1cn[n-]c1.[K+]
InChIInChI=1S/C4H2F3N2.K/c5-4(6,7)3-1-8-9-2-3;/h1-2H;/q-1;+1
InChIKeyRJMCFHKNQJHZLE-UHFFFAOYSA-N
MW174.17 g/mol
LogP-1.94
Rot. Bonds

About potassium 4-(trifluoromethyl)pyrazol-1-ide

potassium 4-(trifluoromethyl)pyrazol-1-ide (PubChem CID 58711209) has the molecular formula C4H2F3KN2 and a molecular weight of 174.17 g/mol. Its IUPAC name is potassium 4-(trifluoromethyl)pyrazol-1-ide.

Molecular Properties

Compound Namepotassium 4-(trifluoromethyl)pyrazol-1-ide
PubChem CID58711209
Molecular FormulaC4H2F3KN2
Molecular Weight174.17 g/mol
Exact Mass173.98
IUPAC Namepotassium 4-(trifluoromethyl)pyrazol-1-ide
SMILESFC(F)(F)c1cn[n-]c1.[K+]
InChIInChI=1S/C4H2F3N2.K/c5-4(6,7)3-1-8-9-2-3;/h1-2H;/q-1;+1
InChIKeyRJMCFHKNQJHZLE-UHFFFAOYSA-N
XLogP-1.94
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 4-(trifluoromethyl)pyrazol-1-ide?
The IUPAC name of potassium 4-(trifluoromethyl)pyrazol-1-ide (CID 58711209) is potassium 4-(trifluoromethyl)pyrazol-1-ide.
What is the SMILES notation for potassium 4-(trifluoromethyl)pyrazol-1-ide?
The canonical SMILES for potassium 4-(trifluoromethyl)pyrazol-1-ide is FC(F)(F)c1cn[n-]c1.[K+].
What is the InChIKey of potassium 4-(trifluoromethyl)pyrazol-1-ide?
The InChIKey is RJMCFHKNQJHZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N2.K/c5-4(6,7)3-1-8-9-2-3;/h1-2H;/q-1;+1.
What are the key properties of potassium 4-(trifluoromethyl)pyrazol-1-ide?
potassium 4-(trifluoromethyl)pyrazol-1-ide has a molecular weight of 174.17 g/mol, XLogP of -1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(trifluoromethyl)pyrazol-1-ide is sourced from PubChem (CID 58711209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).