4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid

C12H8F3NO4 — CID 54021440

IUPAC4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid
SMILESO=C(O)c1c(O)coc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)6-2-1-3-7(4-6)16-10-9(11(18)19)8(17)5-20-10/h1-5,16-17H,(H,18,19)
InChIKeyKZERXSORSOIEOI-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.45
Rot. Bonds3

About 4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid

4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid (PubChem CID 54021440) has the molecular formula C12H8F3NO4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid
PubChem CID54021440
Molecular FormulaC12H8F3NO4
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid
SMILESO=C(O)c1c(O)coc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)6-2-1-3-7(4-6)16-10-9(11(18)19)8(17)5-20-10/h1-5,16-17H,(H,18,19)
InChIKeyKZERXSORSOIEOI-UHFFFAOYSA-N
XLogP3.45
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91898809
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CID 178410088
CID 178410088
CID 53649745
CID 53649745
CID 53747604
CID 53747604
CID 53953294
CID 53953294
CID 53968388
CID 53968388
CID 54018213
CID 54018213
CID 54037290
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CID 54200672
CID 54200672

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid?
The IUPAC name of 4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid (CID 54021440) is 4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid is O=C(O)c1c(O)coc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid?
The InChIKey is KZERXSORSOIEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO4/c13-12(14,15)6-2-1-3-7(4-6)16-10-9(11(18)19)8(17)5-20-10/h1-5,16-17H,(H,18,19).
What are the key properties of 4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid?
4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid has a molecular weight of 287.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[3-(trifluoromethyl)anilino]furan-3-carboxylic acid is sourced from PubChem (CID 54021440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).