1-(5-bromo-2-fluorophenyl)-2-chloroethanol

C8H7BrClFO — CID 83001576

IUPAC1-(5-bromo-2-fluorophenyl)-2-chloroethanol
SMILESOC(CCl)c1cc(Br)ccc1F
InChIInChI=1S/C8H7BrClFO/c9-5-1-2-7(11)6(3-5)8(12)4-10/h1-3,8,12H,4H2
InChIKeyWVZKWIHRVOBWJM-UHFFFAOYSA-N
MW253.50 g/mol
LogP2.86
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)-2-chloroethanol

1-(5-bromo-2-fluorophenyl)-2-chloroethanol (PubChem CID 83001576) has the molecular formula C8H7BrClFO and a molecular weight of 253.50 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-chloroethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-chloroethanol
PubChem CID83001576
Molecular FormulaC8H7BrClFO
Molecular Weight253.50 g/mol
Exact Mass251.94
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-chloroethanol
SMILESOC(CCl)c1cc(Br)ccc1F
InChIInChI=1S/C8H7BrClFO/c9-5-1-2-7(11)6(3-5)8(12)4-10/h1-3,8,12H,4H2
InChIKeyWVZKWIHRVOBWJM-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-2-fluorophenyl)-2-chloroethanol 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

(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001577
1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol
CID 62774880
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 63017670
1-(5-bromo-2-fluorophenyl)hex-4-yn-1-ol
CID 104809446
CID 87630182
CID 87630182
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
1-(5-bromo-2-fluorophenyl)-2-phenylsulfanylethanol
CID 79742279
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-chloroethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-chloroethanol (CID 83001576) is 1-(5-bromo-2-fluorophenyl)-2-chloroethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-chloroethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-chloroethanol is OC(CCl)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-chloroethanol?
The InChIKey is WVZKWIHRVOBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClFO/c9-5-1-2-7(11)6(3-5)8(12)4-10/h1-3,8,12H,4H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-chloroethanol?
1-(5-bromo-2-fluorophenyl)-2-chloroethanol has a molecular weight of 253.50 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-chloroethanol is sourced from PubChem (CID 83001576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).