potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide

C7H3F4K — CID 135081277

IUPACpotassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide
SMILESFc1[c-]cc(C(F)(F)F)cc1.[K+]
InChIInChI=1S/C7H3F4.K/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-3H;/q-1;+1
InChIKeyAOHVNZDYCLTAQB-UHFFFAOYSA-N
MW202.19 g/mol
LogP-0.35
Rot. Bonds

About potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide

potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide (PubChem CID 135081277) has the molecular formula C7H3F4K and a molecular weight of 202.19 g/mol. Its IUPAC name is potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide.

Molecular Properties

Compound Namepotassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide
PubChem CID135081277
Molecular FormulaC7H3F4K
Molecular Weight202.19 g/mol
Exact Mass201.98
IUPAC Namepotassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide
SMILESFc1[c-]cc(C(F)(F)F)cc1.[K+]
InChIInChI=1S/C7H3F4.K/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-3H;/q-1;+1
InChIKeyAOHVNZDYCLTAQB-UHFFFAOYSA-N
XLogP-0.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.35
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-4-(trifluoromethyl)benzene-6-ide?
The IUPAC name of potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide (CID 135081277) is potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide.
What is the SMILES notation for potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide?
The canonical SMILES for potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide is Fc1[c-]cc(C(F)(F)F)cc1.[K+].
What is the InChIKey of potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide?
The InChIKey is AOHVNZDYCLTAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4.K/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-3H;/q-1;+1.
What are the key properties of potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide?
potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide has a molecular weight of 202.19 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide is sourced from PubChem (CID 135081277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).