2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol

C11H15FN2O4 — CID 113362585

IUPAC2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol
SMILESO=[N+]([O-])c1ccc(NCCCOCCO)c(F)c1
InChIInChI=1S/C11H15FN2O4/c12-10-8-9(14(16)17)2-3-11(10)13-4-1-6-18-7-5-15/h2-3,8,13,15H,1,4-7H2
InChIKeyLDFWVYGSNNMCOX-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.54
Rot. Bonds8

About 2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol

2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol (PubChem CID 113362585) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol
PubChem CID113362585
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol
SMILESO=[N+]([O-])c1ccc(NCCCOCCO)c(F)c1
InChIInChI=1S/C11H15FN2O4/c12-10-8-9(14(16)17)2-3-11(10)13-4-1-6-18-7-5-15/h2-3,8,13,15H,1,4-7H2
InChIKeyLDFWVYGSNNMCOX-UHFFFAOYSA-N
XLogP1.54
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline
CID 43591241
N-ethyl-N'-(2-fluoro-4-nitrophenyl)propane-1,3-diamine
CID 54906818
4-(2-fluoro-4-nitroanilino)-1-methoxybutan-2-ol
CID 113343383
4-[3-(2-hydroxyethoxy)propylamino]-N-methyl-3-nitrobenzamide
CID 103990481
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-4-nitroaniline
CID 62301494
N-(2,3-dimethoxypropyl)-2-fluoro-4-nitroaniline
CID 113368856
2-[3-(2-methyl-3-nitroanilino)propoxy]ethanol
CID 106306790
2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 2927743
N-(2,2-dimethylpropyl)-2-fluoro-4-nitroaniline
CID 61167832
4,5-difluoro-N-[3-(2-hydroxyethoxy)propyl]-2-nitrobenzamide
CID 106305762
2-[2-[3-(3,5-dimethylphenoxy)propylamino]-4-nitroanilino]ethanol
CID 112799186
2-[2-(3-fluoro-5-nitroanilino)ethoxy]ethanol
CID 62498468

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol?
The IUPAC name of 2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol (CID 113362585) is 2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol.
What is the SMILES notation for 2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol?
The canonical SMILES for 2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol is O=[N+]([O-])c1ccc(NCCCOCCO)c(F)c1.
What is the InChIKey of 2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol?
The InChIKey is LDFWVYGSNNMCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4/c12-10-8-9(14(16)17)2-3-11(10)13-4-1-6-18-7-5-15/h2-3,8,13,15H,1,4-7H2.
What are the key properties of 2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol?
2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol has a molecular weight of 258.25 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-4-nitroanilino)propoxy]ethanol is sourced from PubChem (CID 113362585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).