potassium 1-fluoro-3-propan-2-ylbenzene-4-ide

C9H10FK — CID 166556318

IUPACpotassium 1-fluoro-3-propan-2-ylbenzene-4-ide
SMILESCC(C)c1[c-]ccc(F)c1.[K+]
InChIInChI=1S/C9H10F.K/c1-7(2)8-4-3-5-9(10)6-8;/h3,5-7H,1-2H3;/q-1;+1
InChIKeyLKPGWNUXVQUXKT-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.25
Rot. Bonds1

About potassium 1-fluoro-3-propan-2-ylbenzene-4-ide

potassium 1-fluoro-3-propan-2-ylbenzene-4-ide (PubChem CID 166556318) has the molecular formula C9H10FK and a molecular weight of 176.28 g/mol. Its IUPAC name is potassium 1-fluoro-3-propan-2-ylbenzene-4-ide.

Molecular Properties

Compound Namepotassium 1-fluoro-3-propan-2-ylbenzene-4-ide
PubChem CID166556318
Molecular FormulaC9H10FK
Molecular Weight176.28 g/mol
Exact Mass176.04
IUPAC Namepotassium 1-fluoro-3-propan-2-ylbenzene-4-ide
SMILESCC(C)c1[c-]ccc(F)c1.[K+]
InChIInChI=1S/C9H10F.K/c1-7(2)8-4-3-5-9(10)6-8;/h3,5-7H,1-2H3;/q-1;+1
InChIKeyLKPGWNUXVQUXKT-UHFFFAOYSA-N
XLogP-0.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 1-fluoro-3-propan-2-ylbenzene-4-ide?
The IUPAC name of potassium 1-fluoro-3-propan-2-ylbenzene-4-ide (CID 166556318) is potassium 1-fluoro-3-propan-2-ylbenzene-4-ide.
What is the SMILES notation for potassium 1-fluoro-3-propan-2-ylbenzene-4-ide?
The canonical SMILES for potassium 1-fluoro-3-propan-2-ylbenzene-4-ide is CC(C)c1[c-]ccc(F)c1.[K+].
What is the InChIKey of potassium 1-fluoro-3-propan-2-ylbenzene-4-ide?
The InChIKey is LKPGWNUXVQUXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F.K/c1-7(2)8-4-3-5-9(10)6-8;/h3,5-7H,1-2H3;/q-1;+1.
What are the key properties of potassium 1-fluoro-3-propan-2-ylbenzene-4-ide?
potassium 1-fluoro-3-propan-2-ylbenzene-4-ide has a molecular weight of 176.28 g/mol, XLogP of -0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-fluoro-3-propan-2-ylbenzene-4-ide is sourced from PubChem (CID 166556318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).