[1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate

C13H12F3NO3 — CID 58602690

IUPAC[1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCC(=O)OC1Cc2ccccc2C1NC(=O)C(F)(F)F
InChIInChI=1S/C13H12F3NO3/c1-7(18)20-10-6-8-4-2-3-5-9(8)11(10)17-12(19)13(14,15)16/h2-5,10-11H,6H2,1H3,(H,17,19)
InChIKeyQLQIESQLWFGMSF-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.89
Rot. Bonds2

About [1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate

[1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate (PubChem CID 58602690) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is [1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate.

Molecular Properties

Compound Name[1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate
PubChem CID58602690
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name[1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCC(=O)OC1Cc2ccccc2C1NC(=O)C(F)(F)F
InChIInChI=1S/C13H12F3NO3/c1-7(18)20-10-6-8-4-2-3-5-9(8)11(10)17-12(19)13(14,15)16/h2-5,10-11H,6H2,1H3,(H,17,19)
InChIKeyQLQIESQLWFGMSF-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The IUPAC name of [1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate (CID 58602690) is [1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate.
What is the SMILES notation for [1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The canonical SMILES for [1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate is CC(=O)OC1Cc2ccccc2C1NC(=O)C(F)(F)F.
What is the InChIKey of [1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The InChIKey is QLQIESQLWFGMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-7(18)20-10-6-8-4-2-3-5-9(8)11(10)17-12(19)13(14,15)16/h2-5,10-11H,6H2,1H3,(H,17,19).
What are the key properties of [1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate?
[1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate has a molecular weight of 287.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1H-inden-2-yl] acetate is sourced from PubChem (CID 58602690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).