2,3-difluoro-6-methoxybenzoic acid

C8H6F2O3 — CID 3861323

IUPAC2,3-difluoro-6-methoxybenzoic acid
SMILESCOc1ccc(F)c(F)c1C(=O)O
InChIInChI=1S/C8H6F2O3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyMMTKYWQMCSZCGW-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.67
Rot. Bonds2

About 2,3-difluoro-6-methoxybenzoic acid

2,3-difluoro-6-methoxybenzoic acid (PubChem CID 3861323) has the molecular formula C8H6F2O3 and a molecular weight of 188.13 g/mol. Its IUPAC name is 2,3-difluoro-6-methoxybenzoic acid.

Molecular Properties

Compound Name2,3-difluoro-6-methoxybenzoic acid
PubChem CID3861323
Molecular FormulaC8H6F2O3
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Name2,3-difluoro-6-methoxybenzoic acid
SMILESCOc1ccc(F)c(F)c1C(=O)O
InChIInChI=1S/C8H6F2O3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyMMTKYWQMCSZCGW-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-difluoro-6-methoxybenzoic 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-difluoro-6-methoxybenzoic acid?
The IUPAC name of 2,3-difluoro-6-methoxybenzoic acid (CID 3861323) is 2,3-difluoro-6-methoxybenzoic acid.
What is the SMILES notation for 2,3-difluoro-6-methoxybenzoic acid?
The canonical SMILES for 2,3-difluoro-6-methoxybenzoic acid is COc1ccc(F)c(F)c1C(=O)O.
What is the InChIKey of 2,3-difluoro-6-methoxybenzoic acid?
The InChIKey is MMTKYWQMCSZCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 2,3-difluoro-6-methoxybenzoic acid?
2,3-difluoro-6-methoxybenzoic acid has a molecular weight of 188.13 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-methoxybenzoic acid is sourced from PubChem (CID 3861323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).