2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid

C13H9FO3S — CID 1486757

IUPAC2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2ccccc2F)s1
InChIInChI=1S/C13H9FO3S/c14-10-4-2-1-3-9(10)13(17)11-6-5-8(18-11)7-12(15)16/h1-6H,7H2,(H,15,16)
InChIKeyVJPVYTCBVKLUMH-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.75
Rot. Bonds4

About 2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid

2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid (PubChem CID 1486757) has the molecular formula C13H9FO3S and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid
PubChem CID1486757
Molecular FormulaC13H9FO3S
Molecular Weight264.28 g/mol
Exact Mass264.03
IUPAC Name2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2ccccc2F)s1
InChIInChI=1S/C13H9FO3S/c14-10-4-2-1-3-9(10)13(17)11-6-5-8(18-11)7-12(15)16/h1-6H,7H2,(H,15,16)
InChIKeyVJPVYTCBVKLUMH-UHFFFAOYSA-N
XLogP2.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic 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-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid (CID 1486757) is 2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(C(=O)c2ccccc2F)s1.
What is the InChIKey of 2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid?
The InChIKey is VJPVYTCBVKLUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO3S/c14-10-4-2-1-3-9(10)13(17)11-6-5-8(18-11)7-12(15)16/h1-6H,7H2,(H,15,16).
What are the key properties of 2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid?
2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorobenzoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 1486757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).