2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid

C10H8ClF3O3 — CID 84738629

IUPAC2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
SMILESCOC(C(=O)O)(c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H8ClF3O3/c1-17-9(8(15)16,10(12,13)14)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,15,16)
InChIKeyMRECRCCXOXUVBT-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.83
Rot. Bonds3

About 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid

2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid (PubChem CID 84738629) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
PubChem CID84738629
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
SMILESCOC(C(=O)O)(c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H8ClF3O3/c1-17-9(8(15)16,10(12,13)14)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,15,16)
InChIKeyMRECRCCXOXUVBT-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic 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 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid?
The IUPAC name of 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid (CID 84738629) is 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid is COC(C(=O)O)(c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid?
The InChIKey is MRECRCCXOXUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-17-9(8(15)16,10(12,13)14)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,15,16).
What are the key properties of 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid?
2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid has a molecular weight of 268.62 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid is sourced from PubChem (CID 84738629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).