1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

C14H12BrF3OS — CID 102829532

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1sc(C(O)Cc2ccc(C(F)(F)F)cc2)cc1Br
InChIInChI=1S/C14H12BrF3OS/c1-8-11(15)7-13(20-8)12(19)6-9-2-4-10(5-3-9)14(16,17)18/h2-5,7,12,19H,6H2,1H3
InChIKeyCITUEWYPIQTJMZ-UHFFFAOYSA-N
MW365.21 g/mol
LogP5.11
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 102829532) has the molecular formula C14H12BrF3OS and a molecular weight of 365.21 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID102829532
Molecular FormulaC14H12BrF3OS
Molecular Weight365.21 g/mol
Exact Mass363.97
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1sc(C(O)Cc2ccc(C(F)(F)F)cc2)cc1Br
InChIInChI=1S/C14H12BrF3OS/c1-8-11(15)7-13(20-8)12(19)6-9-2-4-10(5-3-9)14(16,17)18/h2-5,7,12,19H,6H2,1H3
InChIKeyCITUEWYPIQTJMZ-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.21
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 80535664
1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62116122
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
CID 102830173
1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 81476241
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 102829639
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
CID 102829535
1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102842312
5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-chloro-3-methylthiophene
CID 102764977
1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787194
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
CID 79996948
1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
CID 102829531
(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102827186

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 102829532) is 1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is Cc1sc(C(O)Cc2ccc(C(F)(F)F)cc2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is CITUEWYPIQTJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3OS/c1-8-11(15)7-13(20-8)12(19)6-9-2-4-10(5-3-9)14(16,17)18/h2-5,7,12,19H,6H2,1H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 365.21 g/mol, XLogP of 5.11, 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-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 102829532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).