5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene

C7H2BrF4NO2 — CID 21091423

IUPAC5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
SMILESO=[N+]([O-])c1cc(Br)cc(C(F)(F)F)c1F
InChIInChI=1S/C7H2BrF4NO2/c8-3-1-4(7(10,11)12)6(9)5(2-3)13(14)15/h1-2H
InChIKeyGDXKUVVSMRFFPR-UHFFFAOYSA-N
MW287.99 g/mol
LogP3.52
Rot. Bonds1

About 5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene

5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene (PubChem CID 21091423) has the molecular formula C7H2BrF4NO2 and a molecular weight of 287.99 g/mol. Its IUPAC name is 5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
PubChem CID21091423
Molecular FormulaC7H2BrF4NO2
Molecular Weight287.99 g/mol
Exact Mass286.92
IUPAC Name5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
SMILESO=[N+]([O-])c1cc(Br)cc(C(F)(F)F)c1F
InChIInChI=1S/C7H2BrF4NO2/c8-3-1-4(7(10,11)12)6(9)5(2-3)13(14)15/h1-2H
InChIKeyGDXKUVVSMRFFPR-UHFFFAOYSA-N
XLogP3.52
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.99
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-bromo-2-fluoro-3-nitrophenol
CID 131137935
5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran
CID 166609390
5-bromo-1-(difluoromethyl)-2-fluoro-3-nitrobenzene
CID 131050884
2-[4-bromo-2-nitro-6-(trifluoromethyl)phenoxy]acetamide
CID 167867603
4-fluoro-3-nitro-5-(trifluoromethyl)pyridine
CID 130927202
2-(5-bromo-2-fluoro-3-nitrophenyl)acetic acid
CID 131613589
1,2,3,4,5-pentafluoro-6-[3-nitro-4-(trifluoromethyl)phenyl]benzene
CID 118812925
N-[4-bromo-2-nitro-6-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370176
2-bromo-5-methyl-1-nitro-3-(trifluoromethyl)benzene
CID 119015313
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
2-fluoro-1,3-dinitro-5-[2-(trifluoromethyl)phenyl]benzene
CID 174425918
5-bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 54758728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene?
The IUPAC name of 5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene (CID 21091423) is 5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene is O=[N+]([O-])c1cc(Br)cc(C(F)(F)F)c1F.
What is the InChIKey of 5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene?
The InChIKey is GDXKUVVSMRFFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF4NO2/c8-3-1-4(7(10,11)12)6(9)5(2-3)13(14)15/h1-2H.
What are the key properties of 5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene?
5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene has a molecular weight of 287.99 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 21091423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).