4-[(4-fluorophenyl)methoxy]-2-nitroaniline

C13H11FN2O3 — CID 69306114

IUPAC4-[(4-fluorophenyl)methoxy]-2-nitroaniline
SMILESNc1ccc(OCc2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11FN2O3/c14-10-3-1-9(2-4-10)8-19-11-5-6-12(15)13(7-11)16(17)18/h1-7H,8,15H2
InChIKeyWRSBHLZNIOVQOQ-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.90
Rot. Bonds4

About 4-[(4-fluorophenyl)methoxy]-2-nitroaniline

4-[(4-fluorophenyl)methoxy]-2-nitroaniline (PubChem CID 69306114) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-2-nitroaniline.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-2-nitroaniline
PubChem CID69306114
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name4-[(4-fluorophenyl)methoxy]-2-nitroaniline
SMILESNc1ccc(OCc2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11FN2O3/c14-10-3-1-9(2-4-10)8-19-11-5-6-12(15)13(7-11)16(17)18/h1-7H,8,15H2
InChIKeyWRSBHLZNIOVQOQ-UHFFFAOYSA-N
XLogP2.90
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.90
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-fluorophenoxy)-2-nitroaniline
CID 142716049
4-[(4-methylsulfanylphenoxy)methyl]-2-nitroaniline
CID 63649231
4-[(3-ethoxyphenoxy)methyl]-2-nitroaniline
CID 62335610
4-bromo-2-[(4-fluorophenyl)methoxy]-6-nitroaniline
CID 69499298
methyl 3-[(4-amino-3-nitrophenoxy)methyl]benzoate
CID 10662091
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
CID 22137955
5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 112687927
2-chloro-1-nitro-4-[(4-nitrophenyl)methoxy]benzene
CID 78977048
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
4-(difluoromethoxy)-2-nitroaniline
CID 15906034
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31633710

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-2-nitroaniline?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-2-nitroaniline (CID 69306114) is 4-[(4-fluorophenyl)methoxy]-2-nitroaniline.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-2-nitroaniline?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-2-nitroaniline is Nc1ccc(OCc2ccc(F)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-2-nitroaniline?
The InChIKey is WRSBHLZNIOVQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-10-3-1-9(2-4-10)8-19-11-5-6-12(15)13(7-11)16(17)18/h1-7H,8,15H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-2-nitroaniline?
4-[(4-fluorophenyl)methoxy]-2-nitroaniline has a molecular weight of 262.24 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-2-nitroaniline is sourced from PubChem (CID 69306114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).