N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide

C15H16F3NO2 — CID 22338343

IUPACN-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
SMILESCCC1C=C2CC(NC(=O)C(F)(F)F)C=C2C=C1C(C)=O
InChIInChI=1S/C15H16F3NO2/c1-3-9-4-10-5-12(19-14(21)15(16,17)18)6-11(10)7-13(9)8(2)20/h4,6-7,9,12H,3,5H2,1-2H3,(H,19,21)
InChIKeyBGYWAPXKDIWUNU-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.85
Rot. Bonds3

About N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide

N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 22338343) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
PubChem CID22338343
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide
SMILESCCC1C=C2CC(NC(=O)C(F)(F)F)C=C2C=C1C(C)=O
InChIInChI=1S/C15H16F3NO2/c1-3-9-4-10-5-12(19-14(21)15(16,17)18)6-11(10)7-13(9)8(2)20/h4,6-7,9,12H,3,5H2,1-2H3,(H,19,21)
InChIKeyBGYWAPXKDIWUNU-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide (CID 22338343) is N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide is CCC1C=C2CC(NC(=O)C(F)(F)F)C=C2C=C1C(C)=O.
What is the InChIKey of N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is BGYWAPXKDIWUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-3-9-4-10-5-12(19-14(21)15(16,17)18)6-11(10)7-13(9)8(2)20/h4,6-7,9,12H,3,5H2,1-2H3,(H,19,21).
What are the key properties of N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide?
N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 299.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-6-ethyl-2,6-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22338343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).