5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid

C12H9FO3 — CID 83641773

IUPAC5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2cccc(F)c2)o1
InChIInChI=1S/C12H9FO3/c13-9-3-1-2-8(6-9)7-10-4-5-11(16-10)12(14)15/h1-6H,7H2,(H,14,15)
InChIKeyARUCLVDVWQORJA-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.71
Rot. Bonds3

About 5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid

5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid (PubChem CID 83641773) has the molecular formula C12H9FO3 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
PubChem CID83641773
Molecular FormulaC12H9FO3
Molecular Weight220.20 g/mol
Exact Mass220.05
IUPAC Name5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2cccc(F)c2)o1
InChIInChI=1S/C12H9FO3/c13-9-3-1-2-8(6-9)7-10-4-5-11(16-10)12(14)15/h1-6H,7H2,(H,14,15)
InChIKeyARUCLVDVWQORJA-UHFFFAOYSA-N
XLogP2.71
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxylic acid
CID 90399964
5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 84586226
4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 84724580
5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750665
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150
5-[(3-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 29077645
5-[(5-fluorobenzotriazol-2-yl)methyl]furan-2-carboxylic acid
CID 83968900
5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid
CID 24784779
5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid
CID 21387582
2-[(3-fluorophenyl)methyl]thiophene-3-carboxylic acid
CID 71773236
3-fluoro-4-[(3-fluorophenyl)methyl]benzoic acid
CID 67973995

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid (CID 83641773) is 5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cc2cccc(F)c2)o1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid?
The InChIKey is ARUCLVDVWQORJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO3/c13-9-3-1-2-8(6-9)7-10-4-5-11(16-10)12(14)15/h1-6H,7H2,(H,14,15).
What are the key properties of 5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid?
5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 83641773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).