5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid

C13H11F2NO3 — CID 55093917

IUPAC5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C13H11F2NO3/c14-9-5-8(6-10(15)7-9)3-4-16-12-2-1-11(19-12)13(17)18/h1-2,5-7,16H,3-4H2,(H,17,18)
InChIKeyQFYZLIFVFLRQFP-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.91
Rot. Bonds5

About 5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid

5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid (PubChem CID 55093917) has the molecular formula C13H11F2NO3 and a molecular weight of 267.23 g/mol. Its IUPAC name is 5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid
PubChem CID55093917
Molecular FormulaC13H11F2NO3
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Name5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2cc(F)cc(F)c2)o1
InChIInChI=1S/C13H11F2NO3/c14-9-5-8(6-10(15)7-9)3-4-16-12-2-1-11(19-12)13(17)18/h1-2,5-7,16H,3-4H2,(H,17,18)
InChIKeyQFYZLIFVFLRQFP-UHFFFAOYSA-N
XLogP2.91
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid (CID 55093917) is 5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid is O=C(O)c1ccc(NCCc2cc(F)cc(F)c2)o1.
What is the InChIKey of 5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid?
The InChIKey is QFYZLIFVFLRQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3/c14-9-5-8(6-10(15)7-9)3-4-16-12-2-1-11(19-12)13(17)18/h1-2,5-7,16H,3-4H2,(H,17,18).
What are the key properties of 5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid?
5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid has a molecular weight of 267.23 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-difluorophenyl)ethylamino]furan-2-carboxylic acid is sourced from PubChem (CID 55093917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).