2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol

C13H10BrF3O2S — CID 107104973

IUPAC2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1sccc1Br)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H10BrF3O2S/c14-10-4-5-20-12(10)7-11(18)8-2-1-3-9(6-8)19-13(15,16)17/h1-6,11,18H,7H2
InChIKeyDLUPUHWCKHFMHW-UHFFFAOYSA-N
MW367.19 g/mol
LogP4.69
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol

2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol (PubChem CID 107104973) has the molecular formula C13H10BrF3O2S and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
PubChem CID107104973
Molecular FormulaC13H10BrF3O2S
Molecular Weight367.19 g/mol
Exact Mass365.95
IUPAC Name2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1sccc1Br)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H10BrF3O2S/c14-10-4-5-20-12(10)7-11(18)8-2-1-3-9(6-8)19-13(15,16)17/h1-6,11,18H,7H2
InChIKeyDLUPUHWCKHFMHW-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-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413
2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918244
2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79980714
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 62606496
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107105009
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790843
3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanal
CID 107105425
2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918071
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol
CID 63365571
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-[3-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol (CID 107104973) is 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol is OC(Cc1sccc1Br)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is DLUPUHWCKHFMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3O2S/c14-10-4-5-20-12(10)7-11(18)8-2-1-3-9(6-8)19-13(15,16)17/h1-6,11,18H,7H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
2-(3-bromothiophen-2-yl)-1-[3-(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-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 107104973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).