3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid

C10H12F3NO4 — CID 103251695

IUPAC3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNCCOCC(F)(F)F
InChIInChI=1S/C10H12F3NO4/c11-10(12,13)6-17-4-2-14-5-7-1-3-18-8(7)9(15)16/h1,3,14H,2,4-6H2,(H,15,16)
InChIKeyIRCZUSMDLKGGGK-UHFFFAOYSA-N
MW267.20 g/mol
LogP1.65
Rot. Bonds7

About 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid

3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid (PubChem CID 103251695) has the molecular formula C10H12F3NO4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid
PubChem CID103251695
Molecular FormulaC10H12F3NO4
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNCCOCC(F)(F)F
InChIInChI=1S/C10H12F3NO4/c11-10(12,13)6-17-4-2-14-5-7-1-3-18-8(7)9(15)16/h1,3,14H,2,4-6H2,(H,15,16)
InChIKeyIRCZUSMDLKGGGK-UHFFFAOYSA-N
XLogP1.65
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid (CID 103251695) is 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid is O=C(O)c1occc1CNCCOCC(F)(F)F.
What is the InChIKey of 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid?
The InChIKey is IRCZUSMDLKGGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4/c11-10(12,13)6-17-4-2-14-5-7-1-3-18-8(7)9(15)16/h1,3,14H,2,4-6H2,(H,15,16).
What are the key properties of 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid?
3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid has a molecular weight of 267.20 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103251695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).