1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone

C6H4F3NO2 — CID 82374125

IUPAC1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone
SMILESNc1ccc(C(=O)C(F)(F)F)o1
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)5(11)3-1-2-4(10)12-3/h1-2H,10H2
InChIKeyNJGBMQMLSJLEAM-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.61
Rot. Bonds1

About 1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone

1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone (PubChem CID 82374125) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone
PubChem CID82374125
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone
SMILESNc1ccc(C(=O)C(F)(F)F)o1
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)5(11)3-1-2-4(10)12-3/h1-2H,10H2
InChIKeyNJGBMQMLSJLEAM-UHFFFAOYSA-N
XLogP1.61
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetyl-5-nitrofuran
CID 21348
Methyl 5-aminofuran-2-carboxylate
CID 5072225
5-(Trifluoromethyl)furan-2-carboxamide
CID 2729412
2-Furancarboxylic acid, 5-amino-, ethyl ester
CID 167484
2-Acetyl-5-azidofuran
CID 13213332
2-Furancarboxaldehyde, 5-amino-
CID 14173662
1-(5-Nitrofuran-2-yl)prop-2-en-1-one
CID 20831740
2-Vinyl 5-amino furan
CID 89260072
beta-(5-Amino-2-furyl)acrolein
CID 119094609
N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 21434969
2-(Difluoromethyl)-5-isocyanofuran
CID 59276722
N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide
CID 59588879

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone (CID 82374125) is 1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone is Nc1ccc(C(=O)C(F)(F)F)o1.
What is the InChIKey of 1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is NJGBMQMLSJLEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-6(8,9)5(11)3-1-2-4(10)12-3/h1-2H,10H2.
What are the key properties of 1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone?
1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 179.10 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminofuran-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 82374125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).