2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid

C12H7FO3S — CID 53225743

IUPAC2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid
SMILESO=Cc1cc(-c2ccc(F)c(C(=O)O)c2)cs1
InChIInChI=1S/C12H7FO3S/c13-11-2-1-7(4-10(11)12(15)16)8-3-9(5-14)17-6-8/h1-6H,(H,15,16)
InChIKeyNCZCBXAVCSYGPY-UHFFFAOYSA-N
MW250.25 g/mol
LogP3.06
Rot. Bonds3

About 2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid

2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid (PubChem CID 53225743) has the molecular formula C12H7FO3S and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid
PubChem CID53225743
Molecular FormulaC12H7FO3S
Molecular Weight250.25 g/mol
Exact Mass250.01
IUPAC Name2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid
SMILESO=Cc1cc(-c2ccc(F)c(C(=O)O)c2)cs1
InChIInChI=1S/C12H7FO3S/c13-11-2-1-7(4-10(11)12(15)16)8-3-9(5-14)17-6-8/h1-6H,(H,15,16)
InChIKeyNCZCBXAVCSYGPY-UHFFFAOYSA-N
XLogP3.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid?
The IUPAC name of 2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid (CID 53225743) is 2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid is O=Cc1cc(-c2ccc(F)c(C(=O)O)c2)cs1.
What is the InChIKey of 2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid?
The InChIKey is NCZCBXAVCSYGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FO3S/c13-11-2-1-7(4-10(11)12(15)16)8-3-9(5-14)17-6-8/h1-6H,(H,15,16).
What are the key properties of 2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid?
2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid has a molecular weight of 250.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid is sourced from PubChem (CID 53225743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).