1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

C14H16F3NO — CID 60891963

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc2c(c1)CCC2)CC(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-18(9-14(15,16)17)8-13(19)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8-9H2,1H3
InChIKeyGYGAHMZOGFZULD-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.85
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 60891963) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID60891963
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1ccc2c(c1)CCC2)CC(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-18(9-14(15,16)17)8-13(19)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8-9H2,1H3
InChIKeyGYGAHMZOGFZULD-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (CID 60891963) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is CN(CC(=O)c1ccc2c(c1)CCC2)CC(F)(F)F.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is GYGAHMZOGFZULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-18(9-14(15,16)17)8-13(19)12-6-5-10-3-2-4-11(10)7-12/h5-7H,2-4,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 271.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 60891963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).