2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol

C12H9BrClFOS — CID 63083123

IUPAC2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H9BrClFOS/c13-12-4-2-8(17-12)6-11(16)9-3-1-7(14)5-10(9)15/h1-5,11,16H,6H2
InChIKeyKEEPOEORWWLDBM-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.58
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol

2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol (PubChem CID 63083123) has the molecular formula C12H9BrClFOS and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
PubChem CID63083123
Molecular FormulaC12H9BrClFOS
Molecular Weight335.63 g/mol
Exact Mass333.92
IUPAC Name2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H9BrClFOS/c13-12-4-2-8(17-12)6-11(16)9-3-1-7(14)5-10(9)15/h1-5,11,16H,6H2
InChIKeyKEEPOEORWWLDBM-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

2-(5-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712943
1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol
CID 166094959
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
CID 115840906
[2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295646
2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 114022310
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
CID 63016785
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109
1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 66423442
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79780520
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 55180820

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol (CID 63083123) is 2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol is OC(Cc1ccc(Br)s1)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol?
The InChIKey is KEEPOEORWWLDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFOS/c13-12-4-2-8(17-12)6-11(16)9-3-1-7(14)5-10(9)15/h1-5,11,16H,6H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol?
2-(5-bromothiophen-2-yl)-1-(4-chloro-2-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 2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 63083123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).