1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol

C8H6BrCl2FO — CID 164892190

IUPAC1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol
SMILESOC(c1ccc(Br)c(F)c1)C(Cl)Cl
InChIInChI=1S/C8H6BrCl2FO/c9-5-2-1-4(3-6(5)12)7(13)8(10)11/h1-3,7-8,13H
InChIKeyWERYMBXHOJMFOR-UHFFFAOYSA-N
MW287.94 g/mol
LogP3.43
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol

1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol (PubChem CID 164892190) has the molecular formula C8H6BrCl2FO and a molecular weight of 287.94 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol
PubChem CID164892190
Molecular FormulaC8H6BrCl2FO
Molecular Weight287.94 g/mol
Exact Mass285.90
IUPAC Name1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol
SMILESOC(c1ccc(Br)c(F)c1)C(Cl)Cl
InChIInChI=1S/C8H6BrCl2FO/c9-5-2-1-4(3-6(5)12)7(13)8(10)11/h1-3,7-8,13H
InChIKeyWERYMBXHOJMFOR-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.94
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol
CID 81436992
1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
CID 171859019
2,2-dichloro-1-(4-fluoro-3-methylsulfanylphenyl)ethanol
CID 164892667
2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol
CID 81437103
1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene
CID 166687880
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 164892453
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
4-azido-1-(4-bromo-3-fluorophenyl)butane-1,2-diol
CID 171880550
3-bromo-2-[(4-bromo-3-fluorophenyl)-chloromethyl]-5-methylthiophene
CID 65278452
3-(4-bromo-3-fluorophenyl)-3-hydroxypropanenitrile
CID 81441405
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol (CID 164892190) is 1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol is OC(c1ccc(Br)c(F)c1)C(Cl)Cl.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol?
The InChIKey is WERYMBXHOJMFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2FO/c9-5-2-1-4(3-6(5)12)7(13)8(10)11/h1-3,7-8,13H.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol?
1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol has a molecular weight of 287.94 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol is sourced from PubChem (CID 164892190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).