4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene

C13H9FINO3 — CID 65491329

IUPAC4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C13H9FINO3/c14-10-3-6-13(12(7-10)16(17)18)19-8-9-1-4-11(15)5-2-9/h1-7H,8H2
InChIKeyNKGMGPPHTUSSIC-UHFFFAOYSA-N
MW373.12 g/mol
LogP3.92
Rot. Bonds4

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

4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene (PubChem CID 65491329) has the molecular formula C13H9FINO3 and a molecular weight of 373.12 g/mol. Its IUPAC name is 4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene.

Molecular Properties

Compound Name4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
PubChem CID65491329
Molecular FormulaC13H9FINO3
Molecular Weight373.12 g/mol
Exact Mass372.96
IUPAC Name4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C13H9FINO3/c14-10-3-6-13(12(7-10)16(17)18)19-8-9-1-4-11(15)5-2-9/h1-7H,8H2
InChIKeyNKGMGPPHTUSSIC-UHFFFAOYSA-N
XLogP3.92
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.12
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
CID 65490146
4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid
CID 18914208
1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
CID 2737280
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
4-[(4-fluoro-2-nitrophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620593
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
4-[(2-bromo-4-fluorophenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 29272743
1-(3-bromopropoxy)-4-fluoro-2-nitrobenzene
CID 62368338
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
2-[4-[(3-fluorophenyl)methoxy]-3-nitrophenyl]acetonitrile
CID 82152196
[4-[(4-fluoro-2-methylphenyl)methoxy]-3-nitrophenyl]methanol
CID 114346258
1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
CID 78797422

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene?
The IUPAC name of 4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene (CID 65491329) is 4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene.
What is the SMILES notation for 4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene?
The canonical SMILES for 4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene is O=[N+]([O-])c1cc(F)ccc1OCc1ccc(I)cc1.
What is the InChIKey of 4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene?
The InChIKey is NKGMGPPHTUSSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FINO3/c14-10-3-6-13(12(7-10)16(17)18)19-8-9-1-4-11(15)5-2-9/h1-7H,8H2.
What are the key properties of 4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene?
4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene has a molecular weight of 373.12 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene is sourced from PubChem (CID 65491329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).