2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol

C13H10BrF3O2S — CID 65148260

IUPAC2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1cc(Br)cs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H10BrF3O2S/c14-9-5-11(20-7-9)6-12(18)8-1-3-10(4-2-8)19-13(15,16)17/h1-5,7,12,18H,6H2
InChIKeyJVRDWXANJZFDMM-UHFFFAOYSA-N
MW367.19 g/mol
LogP4.69
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol

2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 65148260) has the molecular formula C13H10BrF3O2S and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID65148260
Molecular FormulaC13H10BrF3O2S
Molecular Weight367.19 g/mol
Exact Mass365.95
IUPAC Name2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1cc(Br)cs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H10BrF3O2S/c14-9-5-11(20-7-9)6-12(18)8-1-3-10(4-2-8)19-13(15,16)17/h1-5,7,12,18H,6H2
InChIKeyJVRDWXANJZFDMM-UHFFFAOYSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol
CID 65146016
1-(3-bromo-4-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 65148395
2-(4-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 62608007
1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 62606496
(R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245706
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
1-[(4-bromothiophen-2-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111599137
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 49089872

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol (CID 65148260) is 2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol is OC(Cc1cc(Br)cs1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is JVRDWXANJZFDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3O2S/c14-9-5-11(20-7-9)6-12(18)8-1-3-10(4-2-8)19-13(15,16)17/h1-5,7,12,18H,6H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol?
2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 367.19 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 65148260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).