2-bromo-4-nitro-6-(trifluoromethoxy)phenol

C7H3BrF3NO4 — CID 99770302

IUPAC2-bromo-4-nitro-6-(trifluoromethoxy)phenol
SMILESO=[N+]([O-])c1cc(Br)c(O)c(OC(F)(F)F)c1
InChIInChI=1S/C7H3BrF3NO4/c8-4-1-3(12(14)15)2-5(6(4)13)16-7(9,10)11/h1-2,13H
InChIKeyZQHUMRDXFMJFTP-UHFFFAOYSA-N
MW302.00 g/mol
LogP2.96
Rot. Bonds2

About 2-bromo-4-nitro-6-(trifluoromethoxy)phenol

2-bromo-4-nitro-6-(trifluoromethoxy)phenol (PubChem CID 99770302) has the molecular formula C7H3BrF3NO4 and a molecular weight of 302.00 g/mol. Its IUPAC name is 2-bromo-4-nitro-6-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-bromo-4-nitro-6-(trifluoromethoxy)phenol
PubChem CID99770302
Molecular FormulaC7H3BrF3NO4
Molecular Weight302.00 g/mol
Exact Mass300.92
IUPAC Name2-bromo-4-nitro-6-(trifluoromethoxy)phenol
SMILESO=[N+]([O-])c1cc(Br)c(O)c(OC(F)(F)F)c1
InChIInChI=1S/C7H3BrF3NO4/c8-4-1-3(12(14)15)2-5(6(4)13)16-7(9,10)11/h1-2,13H
InChIKeyZQHUMRDXFMJFTP-UHFFFAOYSA-N
XLogP2.96
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.00
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-nitro-6-(trifluoromethoxy)phenol?
The IUPAC name of 2-bromo-4-nitro-6-(trifluoromethoxy)phenol (CID 99770302) is 2-bromo-4-nitro-6-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-bromo-4-nitro-6-(trifluoromethoxy)phenol?
The canonical SMILES for 2-bromo-4-nitro-6-(trifluoromethoxy)phenol is O=[N+]([O-])c1cc(Br)c(O)c(OC(F)(F)F)c1.
What is the InChIKey of 2-bromo-4-nitro-6-(trifluoromethoxy)phenol?
The InChIKey is ZQHUMRDXFMJFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO4/c8-4-1-3(12(14)15)2-5(6(4)13)16-7(9,10)11/h1-2,13H.
What are the key properties of 2-bromo-4-nitro-6-(trifluoromethoxy)phenol?
2-bromo-4-nitro-6-(trifluoromethoxy)phenol has a molecular weight of 302.00 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-nitro-6-(trifluoromethoxy)phenol is sourced from PubChem (CID 99770302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).