2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol

C12H8Cl2F3NOS — CID 106782715

IUPAC2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H8Cl2F3NOS/c13-7-2-1-6(8(14)4-7)3-9(19)10-5-18-11(20-10)12(15,16)17/h1-2,4-5,9,19H,3H2
InChIKeyXBYDEISAYAKIMI-UHFFFAOYSA-N
MW342.17 g/mol
LogP4.74
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol

2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 106782715) has the molecular formula C12H8Cl2F3NOS and a molecular weight of 342.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
PubChem CID106782715
Molecular FormulaC12H8Cl2F3NOS
Molecular Weight342.17 g/mol
Exact Mass340.97
IUPAC Name2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H8Cl2F3NOS/c13-7-2-1-6(8(14)4-7)3-9(19)10-5-18-11(20-10)12(15,16)17/h1-2,4-5,9,19H,3H2
InChIKeyXBYDEISAYAKIMI-UHFFFAOYSA-N
XLogP4.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782739
[2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106786780
(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782299
2-(2,4-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105086791
2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106786505
(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786605
(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782172
2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol
CID 115785074
2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63977323
2-(4-chlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782981

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (CID 106782715) is 2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is OC(Cc1ccc(Cl)cc1Cl)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is XBYDEISAYAKIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3NOS/c13-7-2-1-6(8(14)4-7)3-9(19)10-5-18-11(20-10)12(15,16)17/h1-2,4-5,9,19H,3H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 342.17 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 106782715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).