N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide

C11H9BrF3NO — CID 58929224

IUPACN-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCc2cc(Br)ccc21)C(F)(F)F
InChIInChI=1S/C11H9BrF3NO/c12-7-2-3-8-6(5-7)1-4-9(8)16-10(17)11(13,14)15/h2-3,5,9H,1,4H2,(H,16,17)
InChIKeyQBYFEZNAMYPUFJ-UHFFFAOYSA-N
MW308.10 g/mol
LogP3.11
Rot. Bonds1

About N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide

N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide (PubChem CID 58929224) has the molecular formula C11H9BrF3NO and a molecular weight of 308.10 g/mol. Its IUPAC name is N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide
PubChem CID58929224
Molecular FormulaC11H9BrF3NO
Molecular Weight308.10 g/mol
Exact Mass306.98
IUPAC NameN-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCc2cc(Br)ccc21)C(F)(F)F
InChIInChI=1S/C11H9BrF3NO/c12-7-2-3-8-6(5-7)1-4-9(8)16-10(17)11(13,14)15/h2-3,5,9H,1,4H2,(H,16,17)
InChIKeyQBYFEZNAMYPUFJ-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide (CID 58929224) is N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide is O=C(NC1CCc2cc(Br)ccc21)C(F)(F)F.
What is the InChIKey of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide?
The InChIKey is QBYFEZNAMYPUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3NO/c12-7-2-3-8-6(5-7)1-4-9(8)16-10(17)11(13,14)15/h2-3,5,9H,1,4H2,(H,16,17).
What are the key properties of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide?
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide has a molecular weight of 308.10 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58929224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).