4-(4-fluorophenoxy)-2-nitroaniline

C12H9FN2O3 — CID 142716049

IUPAC4-(4-fluorophenoxy)-2-nitroaniline
SMILESNc1ccc(Oc2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9FN2O3/c13-8-1-3-9(4-2-8)18-10-5-6-11(14)12(7-10)15(16)17/h1-7H,14H2
InChIKeyZTLIJDUMBCYOAZ-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.11
Rot. Bonds3

About 4-(4-fluorophenoxy)-2-nitroaniline

4-(4-fluorophenoxy)-2-nitroaniline (PubChem CID 142716049) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-nitroaniline.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-nitroaniline
PubChem CID142716049
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name4-(4-fluorophenoxy)-2-nitroaniline
SMILESNc1ccc(Oc2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9FN2O3/c13-8-1-3-9(4-2-8)18-10-5-6-11(14)12(7-10)15(16)17/h1-7H,14H2
InChIKeyZTLIJDUMBCYOAZ-UHFFFAOYSA-N
XLogP3.11
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-[(4-fluorophenyl)methoxy]-2-nitroaniline
CID 69306114
3-(4-amino-3-nitrophenoxy)benzene-1,2-diamine
CID 69307177
4-(difluoromethoxy)-2-nitroaniline
CID 15906034
4-(2,6-dimethylphenoxy)-2-nitroaniline
CID 58017485
2-nitro-4-phenoxyaniline;N-(2-nitro-4-phenoxyphenyl)acetamide
CID 158109560
5-(3-bromo-5-fluorophenoxy)-2-nitroaniline
CID 106752087
1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine
CID 54524825
4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-nitroaniline
CID 150639219
4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
4-(2,4-difluorophenyl)-2-nitroaniline
CID 175739959
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
5-(2-fluoro-3-methylphenoxy)-2-nitroaniline
CID 107662448

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-nitroaniline?
The IUPAC name of 4-(4-fluorophenoxy)-2-nitroaniline (CID 142716049) is 4-(4-fluorophenoxy)-2-nitroaniline.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-nitroaniline?
The canonical SMILES for 4-(4-fluorophenoxy)-2-nitroaniline is Nc1ccc(Oc2ccc(F)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-fluorophenoxy)-2-nitroaniline?
The InChIKey is ZTLIJDUMBCYOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-8-1-3-9(4-2-8)18-10-5-6-11(14)12(7-10)15(16)17/h1-7H,14H2.
What are the key properties of 4-(4-fluorophenoxy)-2-nitroaniline?
4-(4-fluorophenoxy)-2-nitroaniline has a molecular weight of 248.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-nitroaniline is sourced from PubChem (CID 142716049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).