5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid

C10H10F3NO3 — CID 55050478

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N(CC(F)(F)F)C2CC2)o1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)5-14(6-1-2-6)8-4-3-7(17-8)9(15)16/h3-4,6H,1-2,5H2,(H,15,16)
InChIKeyBBSIARLZFQPUDD-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.51
Rot. Bonds4

About 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid (PubChem CID 55050478) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid
PubChem CID55050478
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N(CC(F)(F)F)C2CC2)o1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)5-14(6-1-2-6)8-4-3-7(17-8)9(15)16/h3-4,6H,1-2,5H2,(H,15,16)
InChIKeyBBSIARLZFQPUDD-UHFFFAOYSA-N
XLogP2.51
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid (CID 55050478) is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid is O=C(O)c1ccc(N(CC(F)(F)F)C2CC2)o1.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid?
The InChIKey is BBSIARLZFQPUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)5-14(6-1-2-6)8-4-3-7(17-8)9(15)16/h3-4,6H,1-2,5H2,(H,15,16).
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid?
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 55050478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).