4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene

C13H9F2NO3 — CID 78767325

IUPAC4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)cc1OCc1cccc(F)c1
InChIInChI=1S/C13H9F2NO3/c14-10-3-1-2-9(6-10)8-19-13-7-11(15)4-5-12(13)16(17)18/h1-7H,8H2
InChIKeyWCNHDJSEBZECKX-UHFFFAOYSA-N
MW265.22 g/mol
LogP3.45
Rot. Bonds4

About 4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene

4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene (PubChem CID 78767325) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene.

Molecular Properties

Compound Name4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
PubChem CID78767325
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)cc1OCc1cccc(F)c1
InChIInChI=1S/C13H9F2NO3/c14-10-3-1-2-9(6-10)8-19-13-7-11(15)4-5-12(13)16(17)18/h1-7H,8H2
InChIKeyWCNHDJSEBZECKX-UHFFFAOYSA-N
XLogP3.45
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
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-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
2-[4-[(3-fluorophenyl)methoxy]-3-nitrophenyl]acetonitrile
CID 82152196
4-[(5-fluoro-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63885407
[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 105404143
1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
CID 78797422
3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde
CID 62116586
4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene
CID 112787536
2-[3-(chloromethyl)phenoxy]-4-fluoro-1-nitrobenzene
CID 112594517
3-[(5-fluoro-2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 112722525
2-[(5-bromo-2-fluorophenyl)methoxy]-4-fluoro-1-nitrobenzene
CID 52617947

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene?
The IUPAC name of 4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene (CID 78767325) is 4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene.
What is the SMILES notation for 4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene?
The canonical SMILES for 4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene is O=[N+]([O-])c1ccc(F)cc1OCc1cccc(F)c1.
What is the InChIKey of 4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene?
The InChIKey is WCNHDJSEBZECKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-10-3-1-2-9(6-10)8-19-13-7-11(15)4-5-12(13)16(17)18/h1-7H,8H2.
What are the key properties of 4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene?
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene has a molecular weight of 265.22 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene is sourced from PubChem (CID 78767325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).