5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one

C13H15F3N2O2 — CID 103207061

IUPAC5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one
SMILESNC(CCOCC(F)(F)F)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)7-20-4-3-10(17)8-1-2-11-9(5-8)6-12(19)18-11/h1-2,5,10H,3-4,6-7,17H2,(H,18,19)
InChIKeyGBZJXMNQAAATNO-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.15
Rot. Bonds5

About 5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one

5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one (PubChem CID 103207061) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one
PubChem CID103207061
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one
SMILESNC(CCOCC(F)(F)F)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)7-20-4-3-10(17)8-1-2-11-9(5-8)6-12(19)18-11/h1-2,5,10H,3-4,6-7,17H2,(H,18,19)
InChIKeyGBZJXMNQAAATNO-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-amino-3-(2,2-difluoroethoxy)propyl]-1,3-dihydroindol-2-one
CID 103207060
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 43321079
methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
CID 61328373
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
7-(1-amino-3,3,3-trifluoropropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165286
5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one
CID 116835597
5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 43197980
5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 62553297
7-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103210715
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one (CID 103207061) is 5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one is NC(CCOCC(F)(F)F)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one?
The InChIKey is GBZJXMNQAAATNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)7-20-4-3-10(17)8-1-2-11-9(5-8)6-12(19)18-11/h1-2,5,10H,3-4,6-7,17H2,(H,18,19).
What are the key properties of 5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one?
5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one has a molecular weight of 288.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 103207061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).