5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine

C11H11BrF3N — CID 61070988

IUPAC5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)CNC1CCc2cc(Br)ccc21
InChIInChI=1S/C11H11BrF3N/c12-8-2-3-9-7(5-8)1-4-10(9)16-6-11(13,14)15/h2-3,5,10,16H,1,4,6H2
InChIKeyDQBOWELTEWWHON-UHFFFAOYSA-N
MW294.11 g/mol
LogP3.59
Rot. Bonds2

About 5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 61070988) has the molecular formula C11H11BrF3N and a molecular weight of 294.11 g/mol. Its IUPAC name is 5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID61070988
Molecular FormulaC11H11BrF3N
Molecular Weight294.11 g/mol
Exact Mass293.00
IUPAC Name5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)CNC1CCc2cc(Br)ccc21
InChIInChI=1S/C11H11BrF3N/c12-8-2-3-9-7(5-8)1-4-10(9)16-6-11(13,14)15/h2-3,5,10,16H,1,4,6H2
InChIKeyDQBOWELTEWWHON-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine (CID 61070988) is 5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine is FC(F)(F)CNC1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DQBOWELTEWWHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3N/c12-8-2-3-9-7(5-8)1-4-10(9)16-6-11(13,14)15/h2-3,5,10,16H,1,4,6H2.
What are the key properties of 5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 294.11 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 61070988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).