5-(fluoromethyl)furan-2-carboxylic acid

C6H5FO3 — CID 18507676

IUPAC5-(fluoromethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CF)o1
InChIInChI=1S/C6H5FO3/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3H2,(H,8,9)
InChIKeyAERRRLOFCXPFDX-UHFFFAOYSA-N
MW144.10 g/mol
LogP1.45
Rot. Bonds2

About 5-(fluoromethyl)furan-2-carboxylic acid

5-(fluoromethyl)furan-2-carboxylic acid (PubChem CID 18507676) has the molecular formula C6H5FO3 and a molecular weight of 144.10 g/mol. Its IUPAC name is 5-(fluoromethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)furan-2-carboxylic acid
PubChem CID18507676
Molecular FormulaC6H5FO3
Molecular Weight144.10 g/mol
Exact Mass144.02
IUPAC Name5-(fluoromethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CF)o1
InChIInChI=1S/C6H5FO3/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3H2,(H,8,9)
InChIKeyAERRRLOFCXPFDX-UHFFFAOYSA-N
XLogP1.45
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(5-carboxyfuran-2-yl)iodanium
CID 139729150
5-[(5-carboxyfuran-2-yl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122768
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid
CID 21387582
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 83641773
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-hexylfuran-2-carboxylic acid
CID 86015959
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)furan-2-carboxylic acid (CID 18507676) is 5-(fluoromethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)furan-2-carboxylic acid is O=C(O)c1ccc(CF)o1.
What is the InChIKey of 5-(fluoromethyl)furan-2-carboxylic acid?
The InChIKey is AERRRLOFCXPFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO3/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3H2,(H,8,9).
What are the key properties of 5-(fluoromethyl)furan-2-carboxylic acid?
5-(fluoromethyl)furan-2-carboxylic acid has a molecular weight of 144.10 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)furan-2-carboxylic acid is sourced from PubChem (CID 18507676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).