2-azido-6-bromo-4-(trifluoromethyl)phenol

C7H3BrF3N3O — CID 151414460

IUPAC2-azido-6-bromo-4-(trifluoromethyl)phenol
SMILES[N-]=[N+]=Nc1cc(C(F)(F)F)cc(Br)c1O
InChIInChI=1S/C7H3BrF3N3O/c8-4-1-3(7(9,10)11)2-5(6(4)15)13-14-12/h1-2,15H
InChIKeyOZFDPAYUWVOYGV-UHFFFAOYSA-N
MW282.02 g/mol
LogP4.12
Rot. Bonds1

About 2-azido-6-bromo-4-(trifluoromethyl)phenol

2-azido-6-bromo-4-(trifluoromethyl)phenol (PubChem CID 151414460) has the molecular formula C7H3BrF3N3O and a molecular weight of 282.02 g/mol. Its IUPAC name is 2-azido-6-bromo-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-azido-6-bromo-4-(trifluoromethyl)phenol
PubChem CID151414460
Molecular FormulaC7H3BrF3N3O
Molecular Weight282.02 g/mol
Exact Mass280.94
IUPAC Name2-azido-6-bromo-4-(trifluoromethyl)phenol
SMILES[N-]=[N+]=Nc1cc(C(F)(F)F)cc(Br)c1O
InChIInChI=1S/C7H3BrF3N3O/c8-4-1-3(7(9,10)11)2-5(6(4)15)13-14-12/h1-2,15H
InChIKeyOZFDPAYUWVOYGV-UHFFFAOYSA-N
XLogP4.12
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.02
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-6-bromo-4-(trifluoromethyl)phenol?
The IUPAC name of 2-azido-6-bromo-4-(trifluoromethyl)phenol (CID 151414460) is 2-azido-6-bromo-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-azido-6-bromo-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-azido-6-bromo-4-(trifluoromethyl)phenol is [N-]=[N+]=Nc1cc(C(F)(F)F)cc(Br)c1O.
What is the InChIKey of 2-azido-6-bromo-4-(trifluoromethyl)phenol?
The InChIKey is OZFDPAYUWVOYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3O/c8-4-1-3(7(9,10)11)2-5(6(4)15)13-14-12/h1-2,15H.
What are the key properties of 2-azido-6-bromo-4-(trifluoromethyl)phenol?
2-azido-6-bromo-4-(trifluoromethyl)phenol has a molecular weight of 282.02 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-6-bromo-4-(trifluoromethyl)phenol is sourced from PubChem (CID 151414460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).