4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid

C12H9FO3 — CID 67111214

IUPAC4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid
SMILESO=C(O)c1occ(CF)c1-c1ccccc1
InChIInChI=1S/C12H9FO3/c13-6-9-7-16-11(12(14)15)10(9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)
InChIKeyWRQRDJXMAQCLJH-UHFFFAOYSA-N
MW220.20 g/mol
LogP3.11
Rot. Bonds3

About 4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid

4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid (PubChem CID 67111214) has the molecular formula C12H9FO3 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid
PubChem CID67111214
Molecular FormulaC12H9FO3
Molecular Weight220.20 g/mol
Exact Mass220.05
IUPAC Name4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid
SMILESO=C(O)c1occ(CF)c1-c1ccccc1
InChIInChI=1S/C12H9FO3/c13-6-9-7-16-11(12(14)15)10(9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)
InChIKeyWRQRDJXMAQCLJH-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid (CID 67111214) is 4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid is O=C(O)c1occ(CF)c1-c1ccccc1.
What is the InChIKey of 4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid?
The InChIKey is WRQRDJXMAQCLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO3/c13-6-9-7-16-11(12(14)15)10(9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15).
What are the key properties of 4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid?
4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-3-phenylfuran-2-carboxylic acid is sourced from PubChem (CID 67111214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).