2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol

C12H10F3NO2S — CID 19101645

IUPAC2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol
SMILESCOc1cccc(C(O)(c2nccs2)C(F)(F)F)c1
InChIInChI=1S/C12H10F3NO2S/c1-18-9-4-2-3-8(7-9)11(17,12(13,14)15)10-16-5-6-19-10/h2-7,17H,1H3
InChIKeyPCZTUJDKUGBHRK-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.95
Rot. Bonds3

About 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol

2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 19101645) has the molecular formula C12H10F3NO2S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol
PubChem CID19101645
Molecular FormulaC12H10F3NO2S
Molecular Weight289.28 g/mol
Exact Mass289.04
IUPAC Name2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol
SMILESCOc1cccc(C(O)(c2nccs2)C(F)(F)F)c1
InChIInChI=1S/C12H10F3NO2S/c1-18-9-4-2-3-8(7-9)11(17,12(13,14)15)10-16-5-6-19-10/h2-7,17H,1H3
InChIKeyPCZTUJDKUGBHRK-UHFFFAOYSA-N
XLogP2.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol (CID 19101645) is 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol is COc1cccc(C(O)(c2nccs2)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is PCZTUJDKUGBHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2S/c1-18-9-4-2-3-8(7-9)11(17,12(13,14)15)10-16-5-6-19-10/h2-7,17H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol?
2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 289.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 19101645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).