2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol

C12H9Br2FO2 — CID 106886287

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1occc1Br
InChIInChI=1S/C12H9Br2FO2/c13-8-3-7(4-9(15)6-8)5-11(16)12-10(14)1-2-17-12/h1-4,6,11,16H,5H2
InChIKeyXUQGCHWVCKSHQN-UHFFFAOYSA-N
MW364.01 g/mol
LogP4.22
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol (PubChem CID 106886287) has the molecular formula C12H9Br2FO2 and a molecular weight of 364.01 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol
PubChem CID106886287
Molecular FormulaC12H9Br2FO2
Molecular Weight364.01 g/mol
Exact Mass361.90
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1occc1Br
InChIInChI=1S/C12H9Br2FO2/c13-8-3-7(4-9(15)6-8)5-11(16)12-10(14)1-2-17-12/h1-4,6,11,16H,5H2
InChIKeyXUQGCHWVCKSHQN-UHFFFAOYSA-N
XLogP4.22
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanol
CID 63942630
2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
CID 113453302
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol
CID 66423642
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 66425063
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 105115438
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822735
1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol
CID 63942827
[2-(3-bromo-5-fluorophenyl)-1-(2-chlorofuran-3-yl)ethyl]hydrazine
CID 106694609

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol (CID 106886287) is 2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol is OC(Cc1cc(F)cc(Br)c1)c1occc1Br.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol?
The InChIKey is XUQGCHWVCKSHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FO2/c13-8-3-7(4-9(15)6-8)5-11(16)12-10(14)1-2-17-12/h1-4,6,11,16H,5H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol has a molecular weight of 364.01 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol is sourced from PubChem (CID 106886287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).