1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene

C6F4INO2 — CID 23234800

IUPAC1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
SMILESO=[N+]([O-])c1c(F)c(F)c(I)c(F)c1F
InChIInChI=1S/C6F4INO2/c7-1-3(9)6(12(13)14)4(10)2(8)5(1)11
InChIKeyBUMDVPWAFSIHFX-UHFFFAOYSA-N
MW320.97 g/mol
LogP2.76
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene

1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene (PubChem CID 23234800) has the molecular formula C6F4INO2 and a molecular weight of 320.97 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
PubChem CID23234800
Molecular FormulaC6F4INO2
Molecular Weight320.97 g/mol
Exact Mass320.89
IUPAC Name1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
SMILESO=[N+]([O-])c1c(F)c(F)c(I)c(F)c1F
InChIInChI=1S/C6F4INO2/c7-1-3(9)6(12(13)14)4(10)2(8)5(1)11
InChIKeyBUMDVPWAFSIHFX-UHFFFAOYSA-N
XLogP2.76
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.97
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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

2,3,5,6-tetrafluoro-4-nitro-N-(2,3,5,6-tetrafluoro-4-nitrophenyl)aniline
CID 10927558
1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene
CID 4261372
1,3,5-trifluoro-2-methyl-4,6-dinitrobenzene
CID 53429897
1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 23234795
1,3-difluoro-5-iodo-2,4-dinitrobenzene
CID 87535078
4-fluoro-5-iodo-3-nitropyridin-2-amine
CID 135394926
2,6-dichloro-3,5-difluoro-4-nitrophenol
CID 14405001
1,3-difluoro-5-methoxy-2,4,6-trinitrobenzene
CID 156781036
2,5-diiodo-4,6-dinitrobenzene-1,3-diol
CID 163856677
1,2,3-triiodo-4,6-dimethyl-5-nitrobenzene
CID 139820318
2-fluoro-4-iodo-3-nitropyridine
CID 130822930
1-tert-butyl-2,3,5-trifluoro-6-methyl-4-nitrobenzene
CID 167696751

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene (CID 23234800) is 1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene is O=[N+]([O-])c1c(F)c(F)c(I)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene?
The InChIKey is BUMDVPWAFSIHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F4INO2/c7-1-3(9)6(12(13)14)4(10)2(8)5(1)11.
What are the key properties of 1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene?
1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene has a molecular weight of 320.97 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene is sourced from PubChem (CID 23234800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).