N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine

C13H16F3NO — CID 54961850

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine
SMILESFC(F)(F)COCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-18-7-6-17-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,17H,1-3,6-7,9H2
InChIKeyXVRLZXXCTRRXOY-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 54961850) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID54961850
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine
SMILESFC(F)(F)COCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-18-7-6-17-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,17H,1-3,6-7,9H2
InChIKeyXVRLZXXCTRRXOY-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.17
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 N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine (CID 54961850) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine is FC(F)(F)COCCNc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is XVRLZXXCTRRXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)9-18-7-6-17-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,17H,1-3,6-7,9H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 259.27 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 54961850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).