N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine

C12H15F3N2 — CID 80577041

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCC1CNc2ccccc21
InChIInChI=1S/C12H15F3N2/c13-12(14,15)8-16-6-5-9-7-17-11-4-2-1-3-10(9)11/h1-4,9,16-17H,5-8H2
InChIKeyGYODRFVKARBELU-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.74
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 80577041) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID80577041
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCC1CNc2ccccc21
InChIInChI=1S/C12H15F3N2/c13-12(14,15)8-16-6-5-9-7-17-11-4-2-1-3-10(9)11/h1-4,9,16-17H,5-8H2
InChIKeyGYODRFVKARBELU-UHFFFAOYSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine (CID 80577041) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCC1CNc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is GYODRFVKARBELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)8-16-6-5-9-7-17-11-4-2-1-3-10(9)11/h1-4,9,16-17H,5-8H2.
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 244.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 80577041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).