1-(4-bromo-2-fluorophenyl)ethane-1,2-diol

C8H8BrFO2 — CID 82713520

IUPAC1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
SMILESOCC(O)c1ccc(Br)cc1F
InChIInChI=1S/C8H8BrFO2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,11-12H,4H2
InChIKeyCUNKZYRHTPFUML-UHFFFAOYSA-N
MW235.05 g/mol
LogP1.61
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)ethane-1,2-diol

1-(4-bromo-2-fluorophenyl)ethane-1,2-diol (PubChem CID 82713520) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
PubChem CID82713520
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
SMILESOCC(O)c1ccc(Br)cc1F
InChIInChI=1S/C8H8BrFO2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,11-12H,4H2
InChIKeyCUNKZYRHTPFUML-UHFFFAOYSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.05
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001577
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol
CID 82928590
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
2-amino-1-(4-bromo-2-fluorophenyl)propane-1,3-diol
CID 66204529
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol
CID 130151540
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
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2-(4-bromo-2-fluorophenyl)-2-hydroxyacetamide
CID 62225649

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)ethane-1,2-diol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)ethane-1,2-diol (CID 82713520) is 1-(4-bromo-2-fluorophenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)ethane-1,2-diol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)ethane-1,2-diol is OCC(O)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)ethane-1,2-diol?
The InChIKey is CUNKZYRHTPFUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,11-12H,4H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)ethane-1,2-diol?
1-(4-bromo-2-fluorophenyl)ethane-1,2-diol has a molecular weight of 235.05 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)ethane-1,2-diol is sourced from PubChem (CID 82713520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).