3-bromo-2-(bromomethyl)-5-fluorophenol

C7H5Br2FO — CID 119014006

IUPAC3-bromo-2-(bromomethyl)-5-fluorophenol
SMILESOc1cc(F)cc(Br)c1CBr
InChIInChI=1S/C7H5Br2FO/c8-3-5-6(9)1-4(10)2-7(5)11/h1-2,11H,3H2
InChIKeyDHLPFEORDZUZJJ-UHFFFAOYSA-N
MW283.92 g/mol
LogP3.19
Rot. Bonds1

About 3-bromo-2-(bromomethyl)-5-fluorophenol

3-bromo-2-(bromomethyl)-5-fluorophenol (PubChem CID 119014006) has the molecular formula C7H5Br2FO and a molecular weight of 283.92 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-5-fluorophenol.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-5-fluorophenol
PubChem CID119014006
Molecular FormulaC7H5Br2FO
Molecular Weight283.92 g/mol
Exact Mass281.87
IUPAC Name3-bromo-2-(bromomethyl)-5-fluorophenol
SMILESOc1cc(F)cc(Br)c1CBr
InChIInChI=1S/C7H5Br2FO/c8-3-5-6(9)1-4(10)2-7(5)11/h1-2,11H,3H2
InChIKeyDHLPFEORDZUZJJ-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.92
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-2-(bromomethyl)-5-fluorophenol 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

3-bromo-5-fluoro-2-(hydroxymethyl)phenol
CID 119021874
2-(aminomethyl)-3-bromo-5-fluorophenol
CID 119001457
(2,6-dibromo-4-fluorophenyl)methanol
CID 58043943
3-bromo-5-fluoro-2-methylphenol;ethane
CID 156879236
2-bromo-5-fluorobenzene-1,3-diol
CID 131382687
(2,6-dibromo-4-fluorophenyl)methyl acetate
CID 67016593
2-ethyl-3,5-difluorophenol
CID 131273539
1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene
CID 131118036
[2-(bromomethyl)-3,5-difluorophenyl]methanol
CID 22121420
3-bromo-5-fluoro-2-hydroxybenzonitrile
CID 23148942
2-bromo-5-fluoro-3-methylphenol
CID 118995128
2-(2-bromo-6-chloro-4-fluorophenyl)acetic acid
CID 131624257

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-5-fluorophenol?
The IUPAC name of 3-bromo-2-(bromomethyl)-5-fluorophenol (CID 119014006) is 3-bromo-2-(bromomethyl)-5-fluorophenol.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-5-fluorophenol?
The canonical SMILES for 3-bromo-2-(bromomethyl)-5-fluorophenol is Oc1cc(F)cc(Br)c1CBr.
What is the InChIKey of 3-bromo-2-(bromomethyl)-5-fluorophenol?
The InChIKey is DHLPFEORDZUZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2FO/c8-3-5-6(9)1-4(10)2-7(5)11/h1-2,11H,3H2.
What are the key properties of 3-bromo-2-(bromomethyl)-5-fluorophenol?
3-bromo-2-(bromomethyl)-5-fluorophenol has a molecular weight of 283.92 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(bromomethyl)-5-fluorophenol is sourced from PubChem (CID 119014006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).