5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid

C12H8F3NO4 — CID 62206357

IUPAC5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)20-8-3-1-2-7(6-8)16-10-5-4-9(19-10)11(17)18/h1-6,16H,(H,17,18)
InChIKeyRXUCABADFBCJTQ-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.62
Rot. Bonds4

About 5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid

5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid (PubChem CID 62206357) has the molecular formula C12H8F3NO4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid
PubChem CID62206357
Molecular FormulaC12H8F3NO4
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)20-8-3-1-2-7(6-8)16-10-5-4-9(19-10)11(17)18/h1-6,16H,(H,17,18)
InChIKeyRXUCABADFBCJTQ-UHFFFAOYSA-N
XLogP3.62
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
5-[[3-(trifluoromethoxy)anilino]methyl]thiophene-2-carboxylic acid
CID 103235008
5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde
CID 143766470
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;hydrochloride
CID 171320799
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
CID 165436568
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
(2S)-2-hydroxy-3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107838256
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid?
The IUPAC name of 5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid (CID 62206357) is 5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid is O=C(O)c1ccc(Nc2cccc(OC(F)(F)F)c2)o1.
What is the InChIKey of 5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid?
The InChIKey is RXUCABADFBCJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO4/c13-12(14,15)20-8-3-1-2-7(6-8)16-10-5-4-9(19-10)11(17)18/h1-6,16H,(H,17,18).
What are the key properties of 5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid?
5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid has a molecular weight of 287.19 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid is sourced from PubChem (CID 62206357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).