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

C12H8BrCl2FOS — CID 102857075

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1F)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H8BrCl2FOS/c13-7-5-10(18-12(7)15)9(17)4-6-2-1-3-8(14)11(6)16/h1-3,5,9,17H,4H2
InChIKeyOMDSUQDDQYMFBT-UHFFFAOYSA-N
MW370.07 g/mol
LogP5.23
Rot. Bonds3

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

1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol (PubChem CID 102857075) has the molecular formula C12H8BrCl2FOS and a molecular weight of 370.07 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
PubChem CID102857075
Molecular FormulaC12H8BrCl2FOS
Molecular Weight370.07 g/mol
Exact Mass367.88
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1F)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H8BrCl2FOS/c13-7-5-10(18-12(7)15)9(17)4-6-2-1-3-8(14)11(6)16/h1-3,5,9,17H,4H2
InChIKeyOMDSUQDDQYMFBT-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.07
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol
CID 80532007
1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867461
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867515
1-(2-bromo-6-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857500
[2-(3-chloro-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]hydrazine
CID 102868609
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 102829878
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol (CID 102857075) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol is OC(Cc1cccc(Cl)c1F)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
The InChIKey is OMDSUQDDQYMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2FOS/c13-7-5-10(18-12(7)15)9(17)4-6-2-1-3-8(14)11(6)16/h1-3,5,9,17H,4H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol has a molecular weight of 370.07 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 102857075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).