3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid

C15H9F5O4 — CID 171382794

IUPAC3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cc(OC(F)F)cc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C15H9F5O4/c16-14(17)23-10-6-8(5-9(7-10)13(21)22)11-3-1-2-4-12(11)24-15(18,19)20/h1-7,14H,(H,21,22)
InChIKeyAZZRUZUJINTJOE-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.55
Rot. Bonds5

About 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid

3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 171382794) has the molecular formula C15H9F5O4 and a molecular weight of 348.22 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID171382794
Molecular FormulaC15H9F5O4
Molecular Weight348.22 g/mol
Exact Mass348.04
IUPAC Name3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cc(OC(F)F)cc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C15H9F5O4/c16-14(17)23-10-6-8(5-9(7-10)13(21)22)11-3-1-2-4-12(11)24-15(18,19)20/h1-7,14H,(H,21,22)
InChIKeyAZZRUZUJINTJOE-UHFFFAOYSA-N
XLogP4.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid 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

1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
3-(difluoromethoxy)-5-(3-methylphenyl)benzoic acid
CID 171382796
3-(4-chlorophenyl)-5-(difluoromethoxy)benzoic acid
CID 171382807
3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
CID 118815323
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol
CID 171382948
3-(difluoromethoxy)-5-pyrimidin-5-ylbenzoic acid
CID 171382835
3-(difluoromethoxy)-5-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 167717441
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
methyl 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoate
CID 134634001
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 50999403

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid (CID 171382794) is 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid is O=C(O)c1cc(OC(F)F)cc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is AZZRUZUJINTJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5O4/c16-14(17)23-10-6-8(5-9(7-10)13(21)22)11-3-1-2-4-12(11)24-15(18,19)20/h1-7,14H,(H,21,22).
What are the key properties of 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid?
3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid has a molecular weight of 348.22 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[2-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 171382794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).