1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone

C12H14FNO — CID 117295815

IUPAC1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc2c(c1F)CCC2
InChIInChI=1S/C12H14FNO/c1-14-7-11(15)10-6-5-8-3-2-4-9(8)12(10)13/h5-6,14H,2-4,7H2,1H3
InChIKeyPNDVJYWLIGDILB-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.72
Rot. Bonds3

About 1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone

1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone (PubChem CID 117295815) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone
PubChem CID117295815
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc2c(c1F)CCC2
InChIInChI=1S/C12H14FNO/c1-14-7-11(15)10-6-5-8-3-2-4-9(8)12(10)13/h5-6,14H,2-4,7H2,1H3
InChIKeyPNDVJYWLIGDILB-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone (CID 117295815) is 1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone is CNCC(=O)c1ccc2c(c1F)CCC2.
What is the InChIKey of 1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone?
The InChIKey is PNDVJYWLIGDILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-14-7-11(15)10-6-5-8-3-2-4-9(8)12(10)13/h5-6,14H,2-4,7H2,1H3.
What are the key properties of 1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone?
1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone has a molecular weight of 207.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 117295815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).