1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C12H13F3N2O2 — CID 103205691

IUPAC1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESNc1cccc2c1CCN2C(=O)COCC(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)7-19-6-11(18)17-5-4-8-9(16)2-1-3-10(8)17/h1-3H,4-7,16H2
InChIKeyMFYNFTXWEVZWDC-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.74
Rot. Bonds3

About 1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103205691) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103205691
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESNc1cccc2c1CCN2C(=O)COCC(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)7-19-6-11(18)17-5-4-8-9(16)2-1-3-10(8)17/h1-3H,4-7,16H2
InChIKeyMFYNFTXWEVZWDC-UHFFFAOYSA-N
XLogP1.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103205691) is 1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is Nc1cccc2c1CCN2C(=O)COCC(F)(F)F.
What is the InChIKey of 1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is MFYNFTXWEVZWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)7-19-6-11(18)17-5-4-8-9(16)2-1-3-10(8)17/h1-3H,4-7,16H2.
What are the key properties of 1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 274.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103205691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).