1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone

C10H10FNO — CID 66915038

IUPAC1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2c(F)cccc21
InChIInChI=1S/C10H10FNO/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3
InChIKeyPZWFKLWAZBFTQY-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.73
Rot. Bonds

About 1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone

1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 66915038) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone
PubChem CID66915038
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2c(F)cccc21
InChIInChI=1S/C10H10FNO/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3
InChIKeyPZWFKLWAZBFTQY-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone (CID 66915038) is 1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is PZWFKLWAZBFTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3.
What are the key properties of 1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone?
1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 179.19 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 66915038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).