potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide

C9H8F3KO2 — CID 135081437

IUPACpotassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide
SMILESCOCOc1[c-]c(C(F)(F)F)ccc1.[K+]
InChIInChI=1S/C9H8F3O2.K/c1-13-6-14-8-4-2-3-7(5-8)9(10,11)12;/h2-4H,6H2,1H3;/q-1;+1
InChIKeyYVMIIXQVIMHKFG-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.51
Rot. Bonds3

About potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide

potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide (PubChem CID 135081437) has the molecular formula C9H8F3KO2 and a molecular weight of 244.25 g/mol. Its IUPAC name is potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide.

Molecular Properties

Compound Namepotassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide
PubChem CID135081437
Molecular FormulaC9H8F3KO2
Molecular Weight244.25 g/mol
Exact Mass244.01
IUPAC Namepotassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide
SMILESCOCOc1[c-]c(C(F)(F)F)ccc1.[K+]
InChIInChI=1S/C9H8F3O2.K/c1-13-6-14-8-4-2-3-7(5-8)9(10,11)12;/h2-4H,6H2,1H3;/q-1;+1
InChIKeyYVMIIXQVIMHKFG-UHFFFAOYSA-N
XLogP-0.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide?
The IUPAC name of potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide (CID 135081437) is potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide.
What is the SMILES notation for potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide?
The canonical SMILES for potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide is COCOc1[c-]c(C(F)(F)F)ccc1.[K+].
What is the InChIKey of potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide?
The InChIKey is YVMIIXQVIMHKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3O2.K/c1-13-6-14-8-4-2-3-7(5-8)9(10,11)12;/h2-4H,6H2,1H3;/q-1;+1.
What are the key properties of potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide?
potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide has a molecular weight of 244.25 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(methoxymethoxy)-3-(trifluoromethyl)benzene-2-ide is sourced from PubChem (CID 135081437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).