2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine

C13H16F3NO — CID 62622356

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine
SMILESNC1(CCOCC(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-18-6-5-12(17)7-10-3-1-2-4-11(10)8-12/h1-4H,5-9,17H2
InChIKeyQNEBYAVBLDRJIG-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.45
Rot. Bonds4

About 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine

2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine (PubChem CID 62622356) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine
PubChem CID62622356
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine
SMILESNC1(CCOCC(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-18-6-5-12(17)7-10-3-1-2-4-11(10)8-12/h1-4H,5-9,17H2
InChIKeyQNEBYAVBLDRJIG-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
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 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine (CID 62622356) is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine is NC1(CCOCC(F)(F)F)Cc2ccccc2C1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine?
The InChIKey is QNEBYAVBLDRJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)9-18-6-5-12(17)7-10-3-1-2-4-11(10)8-12/h1-4H,5-9,17H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine?
2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine has a molecular weight of 259.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 62622356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).