5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid

C15H10F4O3 — CID 117221712

IUPAC5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(COc2ccccc2F)ccc1C(F)(F)F
InChIInChI=1S/C15H10F4O3/c16-12-3-1-2-4-13(12)22-8-9-5-6-11(15(17,18)19)10(7-9)14(20)21/h1-7H,8H2,(H,20,21)
InChIKeyLSVCWQDGFNAGRS-UHFFFAOYSA-N
MW314.23 g/mol
LogP4.12
Rot. Bonds4

About 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid

5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid (PubChem CID 117221712) has the molecular formula C15H10F4O3 and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid
PubChem CID117221712
Molecular FormulaC15H10F4O3
Molecular Weight314.23 g/mol
Exact Mass314.06
IUPAC Name5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(COc2ccccc2F)ccc1C(F)(F)F
InChIInChI=1S/C15H10F4O3/c16-12-3-1-2-4-13(12)22-8-9-5-6-11(15(17,18)19)10(7-9)14(20)21/h1-7H,8H2,(H,20,21)
InChIKeyLSVCWQDGFNAGRS-UHFFFAOYSA-N
XLogP4.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid (CID 117221712) is 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid is O=C(O)c1cc(COc2ccccc2F)ccc1C(F)(F)F.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid?
The InChIKey is LSVCWQDGFNAGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O3/c16-12-3-1-2-4-13(12)22-8-9-5-6-11(15(17,18)19)10(7-9)14(20)21/h1-7H,8H2,(H,20,21).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid?
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid has a molecular weight of 314.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 117221712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).