1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone

C10H9FN2O3 — CID 156632941

IUPAC1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2c(F)ccc([N+](=O)[O-])c21
InChIInChI=1S/C10H9FN2O3/c1-6(14)12-5-4-7-8(11)2-3-9(10(7)12)13(15)16/h2-3H,4-5H2,1H3
InChIKeyLRFRSJVUISWSMU-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.64
Rot. Bonds1

About 1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone

1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 156632941) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone
PubChem CID156632941
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2c(F)ccc([N+](=O)[O-])c21
InChIInChI=1S/C10H9FN2O3/c1-6(14)12-5-4-7-8(11)2-3-9(10(7)12)13(15)16/h2-3H,4-5H2,1H3
InChIKeyLRFRSJVUISWSMU-UHFFFAOYSA-N
XLogP1.64
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-2-methyl-5-nitro-3,4-dihydro-1H-isoquinoline
CID 18687398
5-fluoro-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline
CID 141134359
ethane;1-(4-nitro-1,2-dihydro-[1]benzofuro[2,3-e]indol-3-yl)ethanone
CID 143309358
ethyl 8-fluoro-5-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 141197327
1-[4-(3-fluoro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 21278913
1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidine-4-carboxylic acid
CID 63124080
1-(2,3-difluoro-6-nitrophenyl)-4-methylpiperidin-4-ol
CID 81116432
ethane;7-fluoro-4-nitro-2,3-dihydroinden-1-one
CID 142529612
2-amino-5-(4-methoxy-7-nitro-2,3-dihydroindol-1-yl)-5-oxopentanoic acid
CID 3665278
(2S)-2-amino-5-(4-methoxy-7-nitro-2,3-dihydroindol-1-yl)-5-oxopentanoic acid
CID 6604871
2-methyl-1-(7-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 70797782
(3S)-1-(2,3-difluoro-6-nitrophenyl)pyrrolidin-3-ol
CID 104892831

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone (CID 156632941) is 1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2c(F)ccc([N+](=O)[O-])c21.
What is the InChIKey of 1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is LRFRSJVUISWSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-6(14)12-5-4-7-8(11)2-3-9(10(7)12)13(15)16/h2-3H,4-5H2,1H3.
What are the key properties of 1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone?
1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 224.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-7-nitro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 156632941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).