potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate

C14H7ClF3KO3 — CID 23673685

IUPACpotassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
SMILESO=C([O-])c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1.[K+]
InChIInChI=1S/C14H8ClF3O3.K/c15-11-7-9(14(16,17)18)4-5-12(11)21-10-3-1-2-8(6-10)13(19)20;/h1-7H,(H,19,20);/q;+1/p-1
InChIKeyVAZYMILEEQHBII-UHFFFAOYSA-M
MW354.75 g/mol
LogP0.52
Rot. Bonds3

About potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate

potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate (PubChem CID 23673685) has the molecular formula C14H7ClF3KO3 and a molecular weight of 354.75 g/mol. Its IUPAC name is potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate.

Molecular Properties

Compound Namepotassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
PubChem CID23673685
Molecular FormulaC14H7ClF3KO3
Molecular Weight354.75 g/mol
Exact Mass353.97
IUPAC Namepotassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
SMILESO=C([O-])c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1.[K+]
InChIInChI=1S/C14H8ClF3O3.K/c15-11-7-9(14(16,17)18)4-5-12(11)21-10-3-1-2-8(6-10)13(19)20;/h1-7H,(H,19,20);/q;+1/p-1
InChIKeyVAZYMILEEQHBII-UHFFFAOYSA-M
XLogP0.52
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-Chlorophenyl)methoxy]benzoic acid
CID 8707035
Methyl 3-chloro-4-[(3,4-difluorobenzyl)oxy]benzoate
CID 44570902
Methyl 4-(3-chlorobenzyloxy)-3-chlorobenzoate
CID 44570905
3-(4-(2-Chloro-4-(trifluoromethyl)phenoxy)phenyl)propanoic acid
CID 54584570
3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 91685
Benzoic acid, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, sodium salt (1:1)
CID 23672269
Methyl 3-chloro-4-[(3,5-difluorophenyl)methoxy]benzoate
CID 44570904
2-Chlorophenyl benzoate
CID 221450
2-Chlorophenyl 4-methylbenzoate
CID 530774
3-(2,4-Dichlorophenoxy)benzoic acid
CID 13013688
3-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]-5-fluorobenzoic acid
CID 155145900
Ethyl 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-fluorobenzoate
CID 155145950

Frequently Asked Questions

What is the IUPAC name of potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate?
The IUPAC name of potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate (CID 23673685) is potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate.
What is the SMILES notation for potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate?
The canonical SMILES for potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate is O=C([O-])c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1.[K+].
What is the InChIKey of potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate?
The InChIKey is VAZYMILEEQHBII-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8ClF3O3.K/c15-11-7-9(14(16,17)18)4-5-12(11)21-10-3-1-2-8(6-10)13(19)20;/h1-7H,(H,19,20);/q;+1/p-1.
What are the key properties of potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate?
potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate has a molecular weight of 354.75 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate is sourced from PubChem (CID 23673685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).