5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran

C9H3BrF3NO3 — CID 166609390

IUPAC5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran
SMILESO=[N+]([O-])c1cc(Br)cc2c(C(F)(F)F)coc12
InChIInChI=1S/C9H3BrF3NO3/c10-4-1-5-6(9(11,12)13)3-17-8(5)7(2-4)14(15)16/h1-3H
InChIKeyHAVUTONWLHLEMC-UHFFFAOYSA-N
MW310.03 g/mol
LogP4.12
Rot. Bonds1

About 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran

5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran (PubChem CID 166609390) has the molecular formula C9H3BrF3NO3 and a molecular weight of 310.03 g/mol. Its IUPAC name is 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran
PubChem CID166609390
Molecular FormulaC9H3BrF3NO3
Molecular Weight310.03 g/mol
Exact Mass308.92
IUPAC Name5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran
SMILESO=[N+]([O-])c1cc(Br)cc2c(C(F)(F)F)coc12
InChIInChI=1S/C9H3BrF3NO3/c10-4-1-5-6(9(11,12)13)3-17-8(5)7(2-4)14(15)16/h1-3H
InChIKeyHAVUTONWLHLEMC-UHFFFAOYSA-N
XLogP4.12
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.03
LogP ≤ 54.12
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'}

Analyze 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-8-nitro-4-oxochromene-3-carbaldehyde
CID 39095532
5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
CID 21091423
5-bromo-7-nitro-1-benzofuran;5-bromo-7-nitro-1-benzofuran-3-carboxylic acid
CID 159786507
4-bromo-5-fluoro-7-nitro-1-benzofuran
CID 170560184
2-[4-bromo-2-nitro-6-(trifluoromethyl)phenoxy]acetamide
CID 167867603
2-bromo-5-methyl-1-nitro-3-(trifluoromethyl)benzene
CID 119015313
4-bromo-2-nitro-5-(trifluoromethyl)phenol
CID 86727299
4-bromo-1,2-dinitro-3,5-bis(trifluoromethyl)benzene
CID 118480839
5-(4-bromophenyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 155583552
N-[4-bromo-2-nitro-6-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370176
5-bromo-1-methyl-3-nitro-2-(trifluoromethylsulfanyl)benzene
CID 134629398
5-bromo-N-methyl-2-nitro-4-(trifluoromethyl)aniline
CID 170917565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran (CID 166609390) is 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran is O=[N+]([O-])c1cc(Br)cc2c(C(F)(F)F)coc12.
What is the InChIKey of 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran?
The InChIKey is HAVUTONWLHLEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrF3NO3/c10-4-1-5-6(9(11,12)13)3-17-8(5)7(2-4)14(15)16/h1-3H.
What are the key properties of 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran?
5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran has a molecular weight of 310.03 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-nitro-3-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 166609390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).