2,3,5-trichloro-6-fluorobenzoic acid

C7H2Cl3FO2 — CID 142663386

IUPAC2,3,5-trichloro-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C7H2Cl3FO2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)
InChIKeyUMBAWZADHGORLP-UHFFFAOYSA-N
MW243.45 g/mol
LogP3.48
Rot. Bonds1

About 2,3,5-trichloro-6-fluorobenzoic acid

2,3,5-trichloro-6-fluorobenzoic acid (PubChem CID 142663386) has the molecular formula C7H2Cl3FO2 and a molecular weight of 243.45 g/mol. Its IUPAC name is 2,3,5-trichloro-6-fluorobenzoic acid.

Molecular Properties

Compound Name2,3,5-trichloro-6-fluorobenzoic acid
PubChem CID142663386
Molecular FormulaC7H2Cl3FO2
Molecular Weight243.45 g/mol
Exact Mass241.91
IUPAC Name2,3,5-trichloro-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C7H2Cl3FO2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)
InChIKeyUMBAWZADHGORLP-UHFFFAOYSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,3,5-trichloro-6-fluorobenzoic 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 2,3,5-trichloro-6-fluorobenzoic acid?
The IUPAC name of 2,3,5-trichloro-6-fluorobenzoic acid (CID 142663386) is 2,3,5-trichloro-6-fluorobenzoic acid.
What is the SMILES notation for 2,3,5-trichloro-6-fluorobenzoic acid?
The canonical SMILES for 2,3,5-trichloro-6-fluorobenzoic acid is O=C(O)c1c(F)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-6-fluorobenzoic acid?
The InChIKey is UMBAWZADHGORLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3FO2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13).
What are the key properties of 2,3,5-trichloro-6-fluorobenzoic acid?
2,3,5-trichloro-6-fluorobenzoic acid has a molecular weight of 243.45 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-fluorobenzoic acid is sourced from PubChem (CID 142663386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).