2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol

C12H8BrClF2OS — CID 115790919

IUPAC2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol
SMILESOC(Cc1sccc1Br)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H8BrClF2OS/c13-7-1-2-18-12(7)5-11(17)6-3-10(16)8(14)4-9(6)15/h1-4,11,17H,5H2
InChIKeyHLGRMPCCJUCEMH-UHFFFAOYSA-N
MW353.62 g/mol
LogP4.72
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol

2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol (PubChem CID 115790919) has the molecular formula C12H8BrClF2OS and a molecular weight of 353.62 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol
PubChem CID115790919
Molecular FormulaC12H8BrClF2OS
Molecular Weight353.62 g/mol
Exact Mass351.91
IUPAC Name2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol
SMILESOC(Cc1sccc1Br)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H8BrClF2OS/c13-7-1-2-18-12(7)5-11(17)6-3-10(16)8(14)4-9(6)15/h1-4,11,17H,5H2
InChIKeyHLGRMPCCJUCEMH-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 62944185
2-(2-bromo-4-fluorophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115786975
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790843
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 114025057
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 105399377
2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 65148432
1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790767
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 82773068
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107992805
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 114329930

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol (CID 115790919) is 2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol is OC(Cc1sccc1Br)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol?
The InChIKey is HLGRMPCCJUCEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2OS/c13-7-1-2-18-12(7)5-11(17)6-3-10(16)8(14)4-9(6)15/h1-4,11,17H,5H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol?
2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol has a molecular weight of 353.62 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol is sourced from PubChem (CID 115790919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).