4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene

C12H6BrFINO3 — CID 114673280

IUPAC4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1cc(I)ccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C12H6BrFINO3/c13-7-1-3-9(14)12(5-7)19-11-4-2-8(15)6-10(11)16(17)18/h1-6H
InChIKeyIGEUDWYINRKSCM-UHFFFAOYSA-N
MW437.99 g/mol
LogP4.89
Rot. Bonds3

About 4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene

4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene (PubChem CID 114673280) has the molecular formula C12H6BrFINO3 and a molecular weight of 437.99 g/mol. Its IUPAC name is 4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene
PubChem CID114673280
Molecular FormulaC12H6BrFINO3
Molecular Weight437.99 g/mol
Exact Mass436.86
IUPAC Name4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1cc(I)ccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C12H6BrFINO3/c13-7-1-3-9(14)12(5-7)19-11-4-2-8(15)6-10(11)16(17)18/h1-6H
InChIKeyIGEUDWYINRKSCM-UHFFFAOYSA-N
XLogP4.89
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 54.89
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-bromo-1-fluoro-2-(2-nitrophenoxy)benzene
CID 114673157
1-(5-bromo-2-fluorophenoxy)-4-(chloromethyl)-2-nitrobenzene
CID 114674041
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
4-(bromomethyl)-1-(4-bromo-2-nitrophenoxy)-2-fluorobenzene
CID 107088741
4-(4-bromo-2-fluorophenoxy)-3-nitrobenzenesulfonamide
CID 9112472
1-[5-bromo-2-(bromomethyl)phenoxy]-4-fluoro-2-nitrobenzene
CID 107088360
1-(4-bromo-2-fluorophenoxy)-4-(chloromethyl)-2-nitrobenzene
CID 28971397
1-(5-bromo-2-fluorophenoxy)-3-methoxy-2-nitrobenzene
CID 114673044
1-[5-bromo-2-(chloromethyl)phenoxy]-4-fluoro-2-nitrobenzene
CID 63568399
5-bromo-2-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629521
(1S)-1-[4-(4-bromo-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 65430184
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene?
The IUPAC name of 4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene (CID 114673280) is 4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene.
What is the SMILES notation for 4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene?
The canonical SMILES for 4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene is O=[N+]([O-])c1cc(I)ccc1Oc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene?
The InChIKey is IGEUDWYINRKSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFINO3/c13-7-1-3-9(14)12(5-7)19-11-4-2-8(15)6-10(11)16(17)18/h1-6H.
What are the key properties of 4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene?
4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene has a molecular weight of 437.99 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene is sourced from PubChem (CID 114673280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).