1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone

C10H10FNO — CID 84656845

IUPAC1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone
SMILESCC(=O)c1cc(F)cc2c1NCC2
InChIInChI=1S/C10H10FNO/c1-6(13)9-5-8(11)4-7-2-3-12-10(7)9/h4-5,12H,2-3H2,1H3
InChIKeyAHSNAVOSXJJAMR-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.00
Rot. Bonds1

About 1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone

1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone (PubChem CID 84656845) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone
PubChem CID84656845
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone
SMILESCC(=O)c1cc(F)cc2c1NCC2
InChIInChI=1S/C10H10FNO/c1-6(13)9-5-8(11)4-7-2-3-12-10(7)9/h4-5,12H,2-3H2,1H3
InChIKeyAHSNAVOSXJJAMR-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone (CID 84656845) is 1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone is CC(=O)c1cc(F)cc2c1NCC2.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone?
The InChIKey is AHSNAVOSXJJAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6(13)9-5-8(11)4-7-2-3-12-10(7)9/h4-5,12H,2-3H2,1H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone?
1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone has a molecular weight of 179.19 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone is sourced from PubChem (CID 84656845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).