3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene

C7H3BrF3NO3 — CID 118836001

IUPAC3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)c(OC(F)F)c1Br
InChIInChI=1S/C7H3BrF3NO3/c8-5-4(12(13)14)2-1-3(9)6(5)15-7(10)11/h1-2,7H
InChIKeyZDDVJEFHFOZUDP-UHFFFAOYSA-N
MW286.00 g/mol
LogP3.10
Rot. Bonds3

About 3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene

3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene (PubChem CID 118836001) has the molecular formula C7H3BrF3NO3 and a molecular weight of 286.00 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene.

Molecular Properties

Compound Name3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene
PubChem CID118836001
Molecular FormulaC7H3BrF3NO3
Molecular Weight286.00 g/mol
Exact Mass284.92
IUPAC Name3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)c(OC(F)F)c1Br
InChIInChI=1S/C7H3BrF3NO3/c8-5-4(12(13)14)2-1-3(9)6(5)15-7(10)11/h1-2,7H
InChIKeyZDDVJEFHFOZUDP-UHFFFAOYSA-N
XLogP3.10
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.00
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-(difluoromethoxy)-2-fluoro-4-nitrobenzene
CID 118813557
1-bromo-2-(difluoromethoxy)-4-fluoro-3-nitrobenzene
CID 118841609
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
2-(difluoromethoxy)-1-fluoro-4-methyl-3-nitrobenzene
CID 135743532
2-bromo-6-fluoro-3-nitrophenol
CID 119015559
3-(difluoromethoxy)-4-fluoro-2-nitrobenzoic acid
CID 171031948
3-chloro-2-(difluoromethoxy)-1-methyl-4-nitrobenzene
CID 134625946
5-bromo-2-(difluoromethoxy)-1-methyl-3-nitrobenzene
CID 121227916
1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene
CID 118835888
2-(difluoromethoxy)-4-fluoro-3-nitrobenzoic acid
CID 171031938
4-bromo-2-(difluoromethoxy)-3-methyl-6-nitroaniline
CID 156905294
methyl 2-[3-bromo-2-(difluoromethoxy)-6-nitrophenyl]acetate
CID 171014212

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene?
The IUPAC name of 3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene (CID 118836001) is 3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene.
What is the SMILES notation for 3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene?
The canonical SMILES for 3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene is O=[N+]([O-])c1ccc(F)c(OC(F)F)c1Br.
What is the InChIKey of 3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene?
The InChIKey is ZDDVJEFHFOZUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO3/c8-5-4(12(13)14)2-1-3(9)6(5)15-7(10)11/h1-2,7H.
What are the key properties of 3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene?
3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene has a molecular weight of 286.00 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene is sourced from PubChem (CID 118836001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).