4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid

C12H9FO3 — CID 84724580

IUPAC4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccc(F)c2)co1
InChIInChI=1S/C12H9FO3/c13-10-3-1-2-8(5-10)4-9-6-11(12(14)15)16-7-9/h1-3,5-7H,4H2,(H,14,15)
InChIKeyDLGPIVVICZMEPJ-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.71
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid

4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid (PubChem CID 84724580) has the molecular formula C12H9FO3 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
PubChem CID84724580
Molecular FormulaC12H9FO3
Molecular Weight220.20 g/mol
Exact Mass220.05
IUPAC Name4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccc(F)c2)co1
InChIInChI=1S/C12H9FO3/c13-10-3-1-2-8(5-10)4-9-6-11(12(14)15)16-7-9/h1-3,5-7H,4H2,(H,14,15)
InChIKeyDLGPIVVICZMEPJ-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-fluorophenyl)methyl]furan-2-carboxylic acid
CID 83641773
2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 62746115
2-[(3-fluorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251169
2-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxylic acid
CID 82291027
3-fluoro-4-[(3-fluorophenyl)methyl]benzoic acid
CID 67973995
2-[(3-fluorophenyl)methyl]thiophene-3-carboxylic acid
CID 71773236
5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 84586226
5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 113432447
2-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 115060840
3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142753
N'-[2-(3-fluorophenyl)acetyl]benzohydrazide
CID 9414915
2-[2-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
CID 115060848

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid?
The IUPAC name of 4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid (CID 84724580) is 4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid is O=C(O)c1cc(Cc2cccc(F)c2)co1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid?
The InChIKey is DLGPIVVICZMEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO3/c13-10-3-1-2-8(5-10)4-9-6-11(12(14)15)16-7-9/h1-3,5-7H,4H2,(H,14,15).
What are the key properties of 4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid?
4-[(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 4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 84724580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).