(7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid

C15H10F2O4 — CID 125489625

IUPAC(7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2c1C(=O)CC[C@H]2c1cc(F)ccc1F
InChIInChI=1S/C15H10F2O4/c16-7-1-3-11(17)9(5-7)8-2-4-12(18)13-10(15(19)20)6-21-14(8)13/h1,3,5-6,8H,2,4H2,(H,19,20)/t8-/m0/s1
InChIKeyXAKWXZMDWXNYHW-QMMMGPOBSA-N
MW292.24 g/mol
LogP3.36
Rot. Bonds2

About (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid

(7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid (PubChem CID 125489625) has the molecular formula C15H10F2O4 and a molecular weight of 292.24 g/mol. Its IUPAC name is (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name(7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
PubChem CID125489625
Molecular FormulaC15H10F2O4
Molecular Weight292.24 g/mol
Exact Mass292.05
IUPAC Name(7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2c1C(=O)CC[C@H]2c1cc(F)ccc1F
InChIInChI=1S/C15H10F2O4/c16-7-1-3-11(17)9(5-7)8-2-4-12(18)13-10(15(19)20)6-21-14(8)13/h1,3,5-6,8H,2,4H2,(H,19,20)/t8-/m0/s1
InChIKeyXAKWXZMDWXNYHW-QMMMGPOBSA-N
XLogP3.36
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic 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 (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid?
The IUPAC name of (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid (CID 125489625) is (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid?
The canonical SMILES for (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid is O=C(O)c1coc2c1C(=O)CC[C@H]2c1cc(F)ccc1F.
What is the InChIKey of (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid?
The InChIKey is XAKWXZMDWXNYHW-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H10F2O4/c16-7-1-3-11(17)9(5-7)8-2-4-12(18)13-10(15(19)20)6-21-14(8)13/h1,3,5-6,8H,2,4H2,(H,19,20)/t8-/m0/s1.
What are the key properties of (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid?
(7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid has a molecular weight of 292.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 125489625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).