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

C15H14BrF3OS — CID 115786380

IUPAC1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C(F)(F)F)ccc2Br)s1
InChIInChI=1S/C15H14BrF3OS/c1-2-10-4-5-11(21-10)8-14(20)12-7-9(15(17,18)19)3-6-13(12)16/h3-7,14,20H,2,8H2,1H3
InChIKeyYJTFECYZIAKOGA-UHFFFAOYSA-N
MW379.24 g/mol
LogP5.37
Rot. Bonds4

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

1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol (PubChem CID 115786380) has the molecular formula C15H14BrF3OS and a molecular weight of 379.24 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol
PubChem CID115786380
Molecular FormulaC15H14BrF3OS
Molecular Weight379.24 g/mol
Exact Mass377.99
IUPAC Name1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C(F)(F)F)ccc2Br)s1
InChIInChI=1S/C15H14BrF3OS/c1-2-10-4-5-11(21-10)8-14(20)12-7-9(15(17,18)19)3-6-13(12)16/h3-7,14,20H,2,8H2,1H3
InChIKeyYJTFECYZIAKOGA-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.24
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65147995
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 115828715
1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115786511
1-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 115811105
1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842771
1-[1-[2-bromo-5-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 167890837
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
1-(2,3-dimethylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65148352
(1R,2S)-1-amino-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol
CID 171263154

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol (CID 115786380) is 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(CC(O)c2cc(C(F)(F)F)ccc2Br)s1.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is YJTFECYZIAKOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3OS/c1-2-10-4-5-11(21-10)8-14(20)12-7-9(15(17,18)19)3-6-13(12)16/h3-7,14,20H,2,8H2,1H3.
What are the key properties of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol?
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 379.24 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 115786380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).