N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

C13H15F3N2O2 — CID 80566305

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CNc2ccccc21
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)8-20-6-5-17-12(19)10-7-18-11-4-2-1-3-9(10)11/h1-4,10,18H,5-8H2,(H,17,19)
InChIKeyGZIKJLIHMSECSW-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566305) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566305
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CNc2ccccc21
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)8-20-6-5-17-12(19)10-7-18-11-4-2-1-3-9(10)11/h1-4,10,18H,5-8H2,(H,17,19)
InChIKeyGZIKJLIHMSECSW-UHFFFAOYSA-N
XLogP1.89
TPSA50.36 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 ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80566305) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is O=C(NCCOCC(F)(F)F)C1CNc2ccccc21.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is GZIKJLIHMSECSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)8-20-6-5-17-12(19)10-7-18-11-4-2-1-3-9(10)11/h1-4,10,18H,5-8H2,(H,17,19).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).