3-bromo-6-chloro-2-fluorophenol

C6H3BrClFO — CID 66601002

IUPAC3-bromo-6-chloro-2-fluorophenol
SMILESOc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C6H3BrClFO/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyWMKQZAWRLMLCRO-UHFFFAOYSA-N
MW225.44 g/mol
LogP2.95
Rot. Bonds

About 3-bromo-6-chloro-2-fluorophenol

3-bromo-6-chloro-2-fluorophenol (PubChem CID 66601002) has the molecular formula C6H3BrClFO and a molecular weight of 225.44 g/mol. Its IUPAC name is 3-bromo-6-chloro-2-fluorophenol.

Molecular Properties

Compound Name3-bromo-6-chloro-2-fluorophenol
PubChem CID66601002
Molecular FormulaC6H3BrClFO
Molecular Weight225.44 g/mol
Exact Mass223.90
IUPAC Name3-bromo-6-chloro-2-fluorophenol
SMILESOc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C6H3BrClFO/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyWMKQZAWRLMLCRO-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-bromo-6-chloro-2-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

1-bromo-4-chloro-2,3-difluorobenzene
CID 44891216
1-bromo-4-chloro-2-fluoro-3-methylbenzene
CID 13340108
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
6-[(1R)-1-amino-2,2-difluoroethyl]-3-bromo-2-fluorophenol
CID 131150588
3-bromo-6-(bromomethyl)-2-fluorophenol
CID 130820580
N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 84804790
1-bromo-4-chloro-2-fluoro-3-isocyanobenzene
CID 171405461
6-chloro-2-fluoro-3-hydrazinylphenol
CID 23031935
6-bromo-3-chloro-2-fluorobenzoyl chloride
CID 83409619
3-bromo-6-chloro-2-fluoro-N,N-dimethylaniline
CID 66953951
10-(6-bromo-3-chloro-2-fluorophenyl)phenanthren-9-ol
CID 171433199

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-2-fluorophenol?
The IUPAC name of 3-bromo-6-chloro-2-fluorophenol (CID 66601002) is 3-bromo-6-chloro-2-fluorophenol.
What is the SMILES notation for 3-bromo-6-chloro-2-fluorophenol?
The canonical SMILES for 3-bromo-6-chloro-2-fluorophenol is Oc1c(Cl)ccc(Br)c1F.
What is the InChIKey of 3-bromo-6-chloro-2-fluorophenol?
The InChIKey is WMKQZAWRLMLCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClFO/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H.
What are the key properties of 3-bromo-6-chloro-2-fluorophenol?
3-bromo-6-chloro-2-fluorophenol has a molecular weight of 225.44 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-2-fluorophenol is sourced from PubChem (CID 66601002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).