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

C9H10F3NO2 — CID 62121414

IUPAC5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde
SMILESCCN(CC(F)(F)F)c1ccc(C=O)o1
InChIInChI=1S/C9H10F3NO2/c1-2-13(6-9(10,11)12)8-4-3-7(5-14)15-8/h3-5H,2,6H2,1H3
InChIKeyKXAGEIWEQIFDCD-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.48
Rot. Bonds4

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

5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde (PubChem CID 62121414) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde
PubChem CID62121414
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde
SMILESCCN(CC(F)(F)F)c1ccc(C=O)o1
InChIInChI=1S/C9H10F3NO2/c1-2-13(6-9(10,11)12)8-4-3-7(5-14)15-8/h3-5H,2,6H2,1H3
InChIKeyKXAGEIWEQIFDCD-UHFFFAOYSA-N
XLogP2.48
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Dimethylamino)furan-2-carbaldehyde
CID 802276
5-Diethylamino-Furan-2-Carbaldehyde
CID 768638
5-(4-Methylpiperidin-1-yl)furan-2-carbaldehyde
CID 3160428
5-(Piperidin-1-yl)furan-2-carbaldehyde
CID 601613
5-Morpholin-4-yl-2-furaldehyde
CID 602308
5-(Pyrrolidin-1-yl)furan-2-carbaldehyde
CID 801481
Tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate
CID 46863955
tert-Butyl 1-(5-formylfuran-2-yl)piperidine-4-carboxylate
CID 132343731
N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide
CID 11818405
1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide
CID 101229345
1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide
CID 101229348
N-butyl-N-[5-(difluoromethyl)furan-2-yl]methanesulfonamide
CID 176428281

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde?
The IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde (CID 62121414) is 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde.
What is the SMILES notation for 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde?
The canonical SMILES for 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde is CCN(CC(F)(F)F)c1ccc(C=O)o1.
What is the InChIKey of 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde?
The InChIKey is KXAGEIWEQIFDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-2-13(6-9(10,11)12)8-4-3-7(5-14)15-8/h3-5H,2,6H2,1H3.
What are the key properties of 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde?
5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde has a molecular weight of 221.18 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2,2,2-trifluoroethyl)amino]furan-2-carbaldehyde is sourced from PubChem (CID 62121414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).