4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene

C13H9FINO3 — CID 47230967

IUPAC4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)cc1COc1ccccc1I
InChIInChI=1S/C13H9FINO3/c14-10-5-6-12(16(17)18)9(7-10)8-19-13-4-2-1-3-11(13)15/h1-7H,8H2
InChIKeyYRUPAZVILVDPCY-UHFFFAOYSA-N
MW373.12 g/mol
LogP3.92
Rot. Bonds4

About 4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene

4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene (PubChem CID 47230967) has the molecular formula C13H9FINO3 and a molecular weight of 373.12 g/mol. Its IUPAC name is 4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene.

Molecular Properties

Compound Name4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
PubChem CID47230967
Molecular FormulaC13H9FINO3
Molecular Weight373.12 g/mol
Exact Mass372.96
IUPAC Name4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)cc1COc1ccccc1I
InChIInChI=1S/C13H9FINO3/c14-10-5-6-12(16(17)18)9(7-10)8-19-13-4-2-1-3-11(13)15/h1-7H,8H2
InChIKeyYRUPAZVILVDPCY-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

2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443680
2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60905408
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 115956803
2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 114320904
4-[(5-fluoro-2-nitrophenyl)methoxy]phenol
CID 43443691
N-[(5-fluoro-2-nitrophenyl)methyl]-2-iodoaniline
CID 43443611
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811
3-fluoro-4-[(5-fluoro-2-nitrophenyl)methoxy]benzonitrile
CID 103792151
3-[(5-fluoro-2-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63338489
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
2-[[3-(bromomethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443687

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene?
The IUPAC name of 4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene (CID 47230967) is 4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene.
What is the SMILES notation for 4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene?
The canonical SMILES for 4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene is O=[N+]([O-])c1ccc(F)cc1COc1ccccc1I.
What is the InChIKey of 4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene?
The InChIKey is YRUPAZVILVDPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FINO3/c14-10-5-6-12(16(17)18)9(7-10)8-19-13-4-2-1-3-11(13)15/h1-7H,8H2.
What are the key properties of 4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene?
4-fluoro-2-[(2-iodophenoxy)methyl]-1-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-2-[(2-iodophenoxy)methyl]-1-nitrobenzene is sourced from PubChem (CID 47230967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).