1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol

C12H9BrClFO2 — CID 107894521

IUPAC1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1ccoc1Br
InChIInChI=1S/C12H9BrClFO2/c13-12-8(3-4-17-12)11(16)6-7-1-2-9(14)10(15)5-7/h1-5,11,16H,6H2
InChIKeyVVYQZDSJMZJHJL-UHFFFAOYSA-N
MW319.56 g/mol
LogP4.11
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol

1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol (PubChem CID 107894521) has the molecular formula C12H9BrClFO2 and a molecular weight of 319.56 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol
PubChem CID107894521
Molecular FormulaC12H9BrClFO2
Molecular Weight319.56 g/mol
Exact Mass317.95
IUPAC Name1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1ccoc1Br
InChIInChI=1S/C12H9BrClFO2/c13-12-8(3-4-17-12)11(16)6-7-1-2-9(14)10(15)5-7/h1-5,11,16H,6H2
InChIKeyVVYQZDSJMZJHJL-UHFFFAOYSA-N
XLogP4.11
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
CID 106694105
1-(2-chloro-3-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894454
2-(4-chloro-3-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 114012545
1-(2-amino-5-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107884341
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 107883512
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556
1-(3-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883507
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894433
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol (CID 107894521) is 1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol is OC(Cc1ccc(Cl)c(F)c1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol?
The InChIKey is VVYQZDSJMZJHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFO2/c13-12-8(3-4-17-12)11(16)6-7-1-2-9(14)10(15)5-7/h1-5,11,16H,6H2.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol?
1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol has a molecular weight of 319.56 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 107894521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).