4-(trifluoromethyl)furan-2-carboxylic acid

C6H3F3O3 — CID 4056664

IUPAC4-(trifluoromethyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)co1
InChIInChI=1S/C6H3F3O3/c7-6(8,9)3-1-4(5(10)11)12-2-3/h1-2H,(H,10,11)
InChIKeyQAEQVRIMEKACAT-UHFFFAOYSA-N
MW180.08 g/mol
LogP2.00
Rot. Bonds1

About 4-(trifluoromethyl)furan-2-carboxylic acid

4-(trifluoromethyl)furan-2-carboxylic acid (PubChem CID 4056664) has the molecular formula C6H3F3O3 and a molecular weight of 180.08 g/mol. Its IUPAC name is 4-(trifluoromethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)furan-2-carboxylic acid
PubChem CID4056664
Molecular FormulaC6H3F3O3
Molecular Weight180.08 g/mol
Exact Mass180.00
IUPAC Name4-(trifluoromethyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)co1
InChIInChI=1S/C6H3F3O3/c7-6(8,9)3-1-4(5(10)11)12-2-3/h1-2H,(H,10,11)
InChIKeyQAEQVRIMEKACAT-UHFFFAOYSA-N
XLogP2.00
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.08
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Furfuryl Alcohol
CID 7361
2-Furancarboxylic acid
CID 6919
3-Methyl-2-furoic acid
CID 78127
Methyl 3-methyl-2-furoate
CID 350231
5-Hydroxymethylfuran-3-carboxylic acid
CID 15422126
Furan-2-carboxylate
CID 5460151
5-Formyl-2-furancarboxylic Acid
CID 2793719
5-(Trifluoromethyl)furan-2-carboxylic acid
CID 2777521
4-Methylfuran-2-carbaldehyde
CID 526950
Furan-2,4-dicarboxylic acid
CID 22280328
4,5-Dimethylfuran-2-carboxylic acid
CID 2774924
4-Bromofuran-2-carboxylic acid
CID 12239446

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)furan-2-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)furan-2-carboxylic acid (CID 4056664) is 4-(trifluoromethyl)furan-2-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)furan-2-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)furan-2-carboxylic acid is O=C(O)c1cc(C(F)(F)F)co1.
What is the InChIKey of 4-(trifluoromethyl)furan-2-carboxylic acid?
The InChIKey is QAEQVRIMEKACAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O3/c7-6(8,9)3-1-4(5(10)11)12-2-3/h1-2H,(H,10,11).
What are the key properties of 4-(trifluoromethyl)furan-2-carboxylic acid?
4-(trifluoromethyl)furan-2-carboxylic acid has a molecular weight of 180.08 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)furan-2-carboxylic acid is sourced from PubChem (CID 4056664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).