1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

C9H10F3NO2 — CID 60892744

IUPAC1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1ccco1)CC(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-13(6-9(10,11)12)5-7(14)8-3-2-4-15-8/h2-4H,5-6H2,1H3
InChIKeyKBJGEQWLCBFGSK-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.96
Rot. Bonds4

About 1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 60892744) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID60892744
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1ccco1)CC(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-13(6-9(10,11)12)5-7(14)8-3-2-4-15-8/h2-4H,5-6H2,1H3
InChIKeyKBJGEQWLCBFGSK-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008571
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207
4,4-difluoro-1-(furan-2-yl)pentane-1,3-dione
CID 102033516
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 60779427
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(furan-2-yl)ethanone
CID 103189899
2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030551
1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
CID 55005039
1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 55140385
1-(furan-2-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 62053466
2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264824

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (CID 60892744) is 1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is CN(CC(=O)c1ccco1)CC(F)(F)F.
What is the InChIKey of 1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is KBJGEQWLCBFGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-13(6-9(10,11)12)5-7(14)8-3-2-4-15-8/h2-4H,5-6H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 221.18 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 60892744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).