2-bromo-1,4-difluoro-3-nitrobenzene

C6H2BrF2NO2 — CID 118807842

IUPAC2-bromo-1,4-difluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1c(F)ccc(F)c1Br
InChIInChI=1S/C6H2BrF2NO2/c7-5-3(8)1-2-4(9)6(5)10(11)12/h1-2H
InChIKeyRIUSQZYGBQQWAF-UHFFFAOYSA-N
MW237.99 g/mol
LogP2.64
Rot. Bonds1

About 2-bromo-1,4-difluoro-3-nitrobenzene

2-bromo-1,4-difluoro-3-nitrobenzene (PubChem CID 118807842) has the molecular formula C6H2BrF2NO2 and a molecular weight of 237.99 g/mol. Its IUPAC name is 2-bromo-1,4-difluoro-3-nitrobenzene.

Molecular Properties

Compound Name2-bromo-1,4-difluoro-3-nitrobenzene
PubChem CID118807842
Molecular FormulaC6H2BrF2NO2
Molecular Weight237.99 g/mol
Exact Mass236.92
IUPAC Name2-bromo-1,4-difluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1c(F)ccc(F)c1Br
InChIInChI=1S/C6H2BrF2NO2/c7-5-3(8)1-2-4(9)6(5)10(11)12/h1-2H
InChIKeyRIUSQZYGBQQWAF-UHFFFAOYSA-N
XLogP2.64
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.99
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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-bromo-4-fluoro-3-nitroaniline
CID 119019567
2,4-dibromo-1,5-difluoro-3-nitrobenzene
CID 56973647
3-bromo-4-fluoro-2-nitrobenzenesulfonamide
CID 131342277
1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone
CID 119023442
2-bromo-1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone
CID 131414926
methyl 2-bromo-4-fluoro-3-nitrobenzoate
CID 131273963
ethyl 2-(3-bromo-4-fluoro-2-nitrophenyl)acetate
CID 134632868
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
6-bromo-3-fluoro-N-methyl-2-nitroaniline
CID 164567208
2-bromo-1-(3,6-difluoro-2-nitrophenyl)ethanone
CID 131580407
2,4-difluoro-3-nitrobenzoic acid
CID 69257842
2-bromo-6-fluoro-3-nitrophenol
CID 119015559

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-difluoro-3-nitrobenzene?
The IUPAC name of 2-bromo-1,4-difluoro-3-nitrobenzene (CID 118807842) is 2-bromo-1,4-difluoro-3-nitrobenzene.
What is the SMILES notation for 2-bromo-1,4-difluoro-3-nitrobenzene?
The canonical SMILES for 2-bromo-1,4-difluoro-3-nitrobenzene is O=[N+]([O-])c1c(F)ccc(F)c1Br.
What is the InChIKey of 2-bromo-1,4-difluoro-3-nitrobenzene?
The InChIKey is RIUSQZYGBQQWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2NO2/c7-5-3(8)1-2-4(9)6(5)10(11)12/h1-2H.
What are the key properties of 2-bromo-1,4-difluoro-3-nitrobenzene?
2-bromo-1,4-difluoro-3-nitrobenzene has a molecular weight of 237.99 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-difluoro-3-nitrobenzene is sourced from PubChem (CID 118807842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).