5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde

C8H8F3NO2 — CID 62121407

IUPAC5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde
SMILESCN(CC(F)(F)F)c1ccc(C=O)o1
InChIInChI=1S/C8H8F3NO2/c1-12(5-8(9,10)11)7-3-2-6(4-13)14-7/h2-4H,5H2,1H3
InChIKeyNXBQMJOHYGOCDP-UHFFFAOYSA-N
MW207.15 g/mol
LogP2.09
Rot. Bonds3

About 5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde

5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde (PubChem CID 62121407) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde
PubChem CID62121407
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde
SMILESCN(CC(F)(F)F)c1ccc(C=O)o1
InChIInChI=1S/C8H8F3NO2/c1-12(5-8(9,10)11)7-3-2-6(4-13)14-7/h2-4H,5H2,1H3
InChIKeyNXBQMJOHYGOCDP-UHFFFAOYSA-N
XLogP2.09
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde?
The IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde (CID 62121407) is 5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde.
What is the SMILES notation for 5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde?
The canonical SMILES for 5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde is CN(CC(F)(F)F)c1ccc(C=O)o1.
What is the InChIKey of 5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde?
The InChIKey is NXBQMJOHYGOCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-12(5-8(9,10)11)7-3-2-6(4-13)14-7/h2-4H,5H2,1H3.
What are the key properties of 5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde?
5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde has a molecular weight of 207.15 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde is sourced from PubChem (CID 62121407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).