1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium

C8H9FN2O5P+ — CID 173362705

IUPAC1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium
SMILESCC(Nc1ccc(F)cc1[N+](=O)[O-])O[P+](=O)O
InChIInChI=1S/C8H8FN2O5P/c1-5(16-17(14)15)10-7-3-2-6(9)4-8(7)11(12)13/h2-5,10H,1H3/p+1
InChIKeyCCLIRVNJVQOUEI-UHFFFAOYSA-O
MW263.14 g/mol
LogP2.16
Rot. Bonds5

About 1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium

1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium (PubChem CID 173362705) has the molecular formula C8H9FN2O5P+ and a molecular weight of 263.14 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium
PubChem CID173362705
Molecular FormulaC8H9FN2O5P+
Molecular Weight263.14 g/mol
Exact Mass263.02
IUPAC Name1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium
SMILESCC(Nc1ccc(F)cc1[N+](=O)[O-])O[P+](=O)O
InChIInChI=1S/C8H8FN2O5P/c1-5(16-17(14)15)10-7-3-2-6(9)4-8(7)11(12)13/h2-5,10H,1H3/p+1
InChIKeyCCLIRVNJVQOUEI-UHFFFAOYSA-O
XLogP2.16
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-2-nitroanilino)-2-methylbutanoic acid
CID 113415980
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733393
4-fluoro-N-(5-methylhexan-2-yl)-2-nitroaniline
CID 43685298
4-fluoro-N-(4-methylsulfonylbutan-2-yl)-2-nitroaniline
CID 133386764
4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
CID 115494070
4-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-nitroaniline
CID 83117435
1-N,1-N-diethyl-2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 115594916
N-benzhydryl-4-fluoro-2-nitroaniline
CID 146162956
N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
CID 55097088
2-(4-fluoro-2-nitrophenyl)-1,1-dimethylhydrazine
CID 114449270
1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine
CID 115569605

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium?
The IUPAC name of 1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium (CID 173362705) is 1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium?
The canonical SMILES for 1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium is CC(Nc1ccc(F)cc1[N+](=O)[O-])O[P+](=O)O.
What is the InChIKey of 1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium?
The InChIKey is CCLIRVNJVQOUEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8FN2O5P/c1-5(16-17(14)15)10-7-3-2-6(9)4-8(7)11(12)13/h2-5,10H,1H3/p+1.
What are the key properties of 1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium?
1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium has a molecular weight of 263.14 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitroanilino)ethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 173362705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).