1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol

C12H9BrClFOS — CID 80532302

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H9BrClFOS/c13-12-9(14)6-11(17-12)10(16)5-7-2-1-3-8(15)4-7/h1-4,6,10,16H,5H2
InChIKeyDCKWRJSPFKLHGX-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.58
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol

1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol (PubChem CID 80532302) has the molecular formula C12H9BrClFOS and a molecular weight of 335.63 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
PubChem CID80532302
Molecular FormulaC12H9BrClFOS
Molecular Weight335.63 g/mol
Exact Mass333.92
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H9BrClFOS/c13-12-9(14)6-11(17-12)10(16)5-7-2-1-3-8(15)4-7/h1-4,6,10,16H,5H2
InChIKeyDCKWRJSPFKLHGX-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 79996332
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 80531073
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 80531983
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol
CID 80532007
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 80533300
2-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene
CID 80533672
2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 61101540
1-(5-chloro-1,3-thiazol-2-yl)-2-(3-fluorophenyl)ethanol
CID 107125030
1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
CID 107477080
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
CID 115484522

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol (CID 80532302) is 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol is OC(Cc1cccc(F)c1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol?
The InChIKey is DCKWRJSPFKLHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFOS/c13-12-9(14)6-11(17-12)10(16)5-7-2-1-3-8(15)4-7/h1-4,6,10,16H,5H2.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol?
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol has a molecular weight of 335.63 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 80532302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).