1-(3-bromo-4-fluorophenyl)ethane-1,2-diol

C8H8BrFO2 — CID 70906663

IUPAC1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
SMILESOCC(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFO2/c9-6-3-5(8(12)4-11)1-2-7(6)10/h1-3,8,11-12H,4H2
InChIKeyTWZPGWVWHYTVCX-UHFFFAOYSA-N
MW235.05 g/mol
LogP1.61
Rot. Bonds2

About 1-(3-bromo-4-fluorophenyl)ethane-1,2-diol

1-(3-bromo-4-fluorophenyl)ethane-1,2-diol (PubChem CID 70906663) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
PubChem CID70906663
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
SMILESOCC(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFO2/c9-6-3-5(8(12)4-11)1-2-7(6)10/h1-3,8,11-12H,4H2
InChIKeyTWZPGWVWHYTVCX-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

1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386
3-(3-bromo-4-fluorophenyl)-3-hydroxypropanenitrile
CID 66629194
1-(3-bromo-4-fluorophenyl)-3-methylhexan-1-ol
CID 65147954
1-(3-bromo-4-fluorophenyl)-2-(ethylamino)ethanol
CID 62774882
1-(3-bromo-4-fluorophenyl)-3,4,4-trimethylpentan-1-ol
CID 79747122
1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
CID 82809898
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
CID 79747618
1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65148052
1-(3-bromo-4-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 65148395
1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 65148445
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)ethane-1,2-diol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)ethane-1,2-diol (CID 70906663) is 1-(3-bromo-4-fluorophenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)ethane-1,2-diol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)ethane-1,2-diol is OCC(O)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)ethane-1,2-diol?
The InChIKey is TWZPGWVWHYTVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c9-6-3-5(8(12)4-11)1-2-7(6)10/h1-3,8,11-12H,4H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)ethane-1,2-diol?
1-(3-bromo-4-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-(3-bromo-4-fluorophenyl)ethane-1,2-diol is sourced from PubChem (CID 70906663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).