2-bromo-5-(trifluoromethyl)benzene-1,4-diol

C7H4BrF3O2 — CID 84708932

IUPAC2-bromo-5-(trifluoromethyl)benzene-1,4-diol
SMILESOc1cc(C(F)(F)F)c(O)cc1Br
InChIInChI=1S/C7H4BrF3O2/c8-4-2-5(12)3(1-6(4)13)7(9,10)11/h1-2,12-13H
InChIKeyMFBXBXZZRPRTJE-UHFFFAOYSA-N
MW257.00 g/mol
LogP2.88
Rot. Bonds

About 2-bromo-5-(trifluoromethyl)benzene-1,4-diol

2-bromo-5-(trifluoromethyl)benzene-1,4-diol (PubChem CID 84708932) has the molecular formula C7H4BrF3O2 and a molecular weight of 257.00 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethyl)benzene-1,4-diol
PubChem CID84708932
Molecular FormulaC7H4BrF3O2
Molecular Weight257.00 g/mol
Exact Mass255.93
IUPAC Name2-bromo-5-(trifluoromethyl)benzene-1,4-diol
SMILESOc1cc(C(F)(F)F)c(O)cc1Br
InChIInChI=1S/C7H4BrF3O2/c8-4-2-5(12)3(1-6(4)13)7(9,10)11/h1-2,12-13H
InChIKeyMFBXBXZZRPRTJE-UHFFFAOYSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.00
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-bromo-5-(trifluoromethyl)benzene-1,4-diol 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

5-bromo-2,4-bis(trifluoromethyl)phenol
CID 119013784
1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one
CID 117478323
4-[4-hydroxy-2,5-bis(trifluoromethyl)phenyl]sulfanyl-2,5-bis(trifluoromethyl)phenol
CID 54220764
5-sulfanyl-2,4-bis(trifluoromethyl)phenol
CID 119023774
2-(2-bromo-4,5-dihydroxyphenyl)-2-fluoropropanoic acid
CID 105426090
4-ethyl-2,5-bis(trifluoromethyl)phenol
CID 135742857
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
4-bromo-2-nitro-5-(trifluoromethyl)phenol
CID 86727299
5-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 136998286
2-(bromomethyl)-4,5-bis(trifluoromethyl)phenol
CID 118851209
5-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 125116389
5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
CID 119015933

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethyl)benzene-1,4-diol?
The IUPAC name of 2-bromo-5-(trifluoromethyl)benzene-1,4-diol (CID 84708932) is 2-bromo-5-(trifluoromethyl)benzene-1,4-diol.
What is the SMILES notation for 2-bromo-5-(trifluoromethyl)benzene-1,4-diol?
The canonical SMILES for 2-bromo-5-(trifluoromethyl)benzene-1,4-diol is Oc1cc(C(F)(F)F)c(O)cc1Br.
What is the InChIKey of 2-bromo-5-(trifluoromethyl)benzene-1,4-diol?
The InChIKey is MFBXBXZZRPRTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O2/c8-4-2-5(12)3(1-6(4)13)7(9,10)11/h1-2,12-13H.
What are the key properties of 2-bromo-5-(trifluoromethyl)benzene-1,4-diol?
2-bromo-5-(trifluoromethyl)benzene-1,4-diol has a molecular weight of 257.00 g/mol, XLogP of 2.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethyl)benzene-1,4-diol is sourced from PubChem (CID 84708932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).