4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

C15H12F2N2O2 — CID 83065284

IUPAC4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESO=[N+]([O-])c1ccc(F)cc1NC1CCc2c(F)cccc21
InChIInChI=1S/C15H12F2N2O2/c16-9-4-7-15(19(20)21)14(8-9)18-13-6-5-10-11(13)2-1-3-12(10)17/h1-4,7-8,13,18H,5-6H2
InChIKeyOVNDVGXLOYUSNG-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.97
Rot. Bonds3

About 4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 83065284) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID83065284
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESO=[N+]([O-])c1ccc(F)cc1NC1CCc2c(F)cccc21
InChIInChI=1S/C15H12F2N2O2/c16-9-4-7-15(19(20)21)14(8-9)18-13-6-5-10-11(13)2-1-3-12(10)17/h1-4,7-8,13,18H,5-6H2
InChIKeyOVNDVGXLOYUSNG-UHFFFAOYSA-N
XLogP3.97
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
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

4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol
CID 83065641
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107527044
N-(5-fluoro-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62376615
N-(2-bromo-4-nitrophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067494
4-fluoro-N-(2-methyl-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065489
4-fluoro-N-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83067325
N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79483667
4-bromo-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
CID 107797461
N-(2-bromophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067708
N-(4-chlorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067484
1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725762

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (CID 83065284) is 4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is O=[N+]([O-])c1ccc(F)cc1NC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OVNDVGXLOYUSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-9-4-7-15(19(20)21)14(8-9)18-13-6-5-10-11(13)2-1-3-12(10)17/h1-4,7-8,13,18H,5-6H2.
What are the key properties of 4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 290.27 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83065284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).