4-bromo-3-(trifluoromethyl)phenol

C7H4BrF3O — CID 22277307

IUPAC4-bromo-3-(trifluoromethyl)phenol
SMILESOc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H4BrF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChIKeyVOWPIDJSINRFPZ-UHFFFAOYSA-N
MW241.01 g/mol
LogP3.17
Rot. Bonds

About 4-bromo-3-(trifluoromethyl)phenol

4-bromo-3-(trifluoromethyl)phenol (PubChem CID 22277307) has the molecular formula C7H4BrF3O and a molecular weight of 241.01 g/mol. Its IUPAC name is 4-bromo-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-bromo-3-(trifluoromethyl)phenol
PubChem CID22277307
Molecular FormulaC7H4BrF3O
Molecular Weight241.01 g/mol
Exact Mass239.94
IUPAC Name4-bromo-3-(trifluoromethyl)phenol
SMILESOc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H4BrF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChIKeyVOWPIDJSINRFPZ-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-3-(trifluoromethyl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(trifluoromethyl)phenol?
The IUPAC name of 4-bromo-3-(trifluoromethyl)phenol (CID 22277307) is 4-bromo-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-bromo-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-bromo-3-(trifluoromethyl)phenol is Oc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-3-(trifluoromethyl)phenol?
The InChIKey is VOWPIDJSINRFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H.
What are the key properties of 4-bromo-3-(trifluoromethyl)phenol?
4-bromo-3-(trifluoromethyl)phenol has a molecular weight of 241.01 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(trifluoromethyl)phenol is sourced from PubChem (CID 22277307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).