5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid

C10H10F3NO5 — CID 167728366

IUPAC5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CC(CO)NC(=O)C(F)(F)F)o1
InChIInChI=1S/C10H10F3NO5/c11-10(12,13)9(18)14-5(4-15)3-6-1-2-7(19-6)8(16)17/h1-2,5,15H,3-4H2,(H,14,18)(H,16,17)
InChIKeyJEIDHUDAGUMCDW-UHFFFAOYSA-N
MW281.19 g/mol
LogP0.56
Rot. Bonds5

About 5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid

5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid (PubChem CID 167728366) has the molecular formula C10H10F3NO5 and a molecular weight of 281.19 g/mol. Its IUPAC name is 5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid
PubChem CID167728366
Molecular FormulaC10H10F3NO5
Molecular Weight281.19 g/mol
Exact Mass281.05
IUPAC Name5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CC(CO)NC(=O)C(F)(F)F)o1
InChIInChI=1S/C10H10F3NO5/c11-10(12,13)9(18)14-5(4-15)3-6-1-2-7(19-6)8(16)17/h1-2,5,15H,3-4H2,(H,14,18)(H,16,17)
InChIKeyJEIDHUDAGUMCDW-UHFFFAOYSA-N
XLogP0.56
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid (CID 167728366) is 5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid is O=C(O)c1ccc(CC(CO)NC(=O)C(F)(F)F)o1.
What is the InChIKey of 5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid?
The InChIKey is JEIDHUDAGUMCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO5/c11-10(12,13)9(18)14-5(4-15)3-6-1-2-7(19-6)8(16)17/h1-2,5,15H,3-4H2,(H,14,18)(H,16,17).
What are the key properties of 5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid?
5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid has a molecular weight of 281.19 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]furan-2-carboxylic acid is sourced from PubChem (CID 167728366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).