5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid

C12H7FO4 — CID 165484131

IUPAC5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid
SMILESO=Cc1cccc(F)c1-c1ccc(C(=O)O)o1
InChIInChI=1S/C12H7FO4/c13-8-3-1-2-7(6-14)11(8)9-4-5-10(17-9)12(15)16/h1-6H,(H,15,16)
InChIKeyWNUGFCVBHRGCAG-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.60
Rot. Bonds3

About 5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid

5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid (PubChem CID 165484131) has the molecular formula C12H7FO4 and a molecular weight of 234.18 g/mol. Its IUPAC name is 5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid
PubChem CID165484131
Molecular FormulaC12H7FO4
Molecular Weight234.18 g/mol
Exact Mass234.03
IUPAC Name5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid
SMILESO=Cc1cccc(F)c1-c1ccc(C(=O)O)o1
InChIInChI=1S/C12H7FO4/c13-8-3-1-2-7(6-14)11(8)9-4-5-10(17-9)12(15)16/h1-6H,(H,15,16)
InChIKeyWNUGFCVBHRGCAG-UHFFFAOYSA-N
XLogP2.60
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,6-difluoro-3-methylphenyl)furan-2-carboxylic acid
CID 82820130
5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid
CID 63424237
2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
CID 175847357
3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde
CID 165487809
3,6-difluoro-2-(5-formylfuran-2-yl)benzoic acid
CID 169335611
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
3-fluoro-2-(4-methoxyphenyl)benzaldehyde
CID 135055449
5-(3-bromo-2-methylphenyl)furan-2-carboxylic acid
CID 107626669
1-[5-(3-fluoro-2-methylphenyl)furan-2-yl]ethanone
CID 62498241
5-(5-formylthiophen-3-yl)furan-2-carboxylic acid
CID 18801353
2-aminoacetic acid;2,3-difluorobenzaldehyde
CID 23295601
N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide
CID 56707703

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid (CID 165484131) is 5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid is O=Cc1cccc(F)c1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid?
The InChIKey is WNUGFCVBHRGCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FO4/c13-8-3-1-2-7(6-14)11(8)9-4-5-10(17-9)12(15)16/h1-6H,(H,15,16).
What are the key properties of 5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid?
5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-formylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 165484131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).