(2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol

C13H12F3NO2S — CID 125140266

IUPAC(2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol
SMILESO[C@H](COc1cccc(-c2nccs2)c1)CC(F)(F)F
InChIInChI=1S/C13H12F3NO2S/c14-13(15,16)7-10(18)8-19-11-3-1-2-9(6-11)12-17-4-5-20-12/h1-6,10,18H,7-8H2/t10-/m0/s1
InChIKeyFWSLXWZICLCGML-JTQLQIEISA-N
MW303.31 g/mol
LogP3.50
Rot. Bonds5

About (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol

(2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol (PubChem CID 125140266) has the molecular formula C13H12F3NO2S and a molecular weight of 303.31 g/mol. Its IUPAC name is (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name(2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol
PubChem CID125140266
Molecular FormulaC13H12F3NO2S
Molecular Weight303.31 g/mol
Exact Mass303.05
IUPAC Name(2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol
SMILESO[C@H](COc1cccc(-c2nccs2)c1)CC(F)(F)F
InChIInChI=1S/C13H12F3NO2S/c14-13(15,16)7-10(18)8-19-11-3-1-2-9(6-11)12-17-4-5-20-12/h1-6,10,18H,7-8H2/t10-/m0/s1
InChIKeyFWSLXWZICLCGML-JTQLQIEISA-N
XLogP3.50
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol with MolForge

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Related Compounds

1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
CID 167854837
1-(3,5-dimethoxyphenoxy)-4,4,4-trifluorobutan-2-ol
CID 166218971
4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
CID 119039533
(2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
CID 100673610
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
[3-(1,3-thiazol-2-yl)phenyl] 2-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]acetate
CID 142273740
N'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111082576
1-chloro-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878473
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418
5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479662
(2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol
CID 125141585

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol?
The IUPAC name of (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol (CID 125140266) is (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol.
What is the SMILES notation for (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol?
The canonical SMILES for (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol is O[C@H](COc1cccc(-c2nccs2)c1)CC(F)(F)F.
What is the InChIKey of (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol?
The InChIKey is FWSLXWZICLCGML-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12F3NO2S/c14-13(15,16)7-10(18)8-19-11-3-1-2-9(6-11)12-17-4-5-20-12/h1-6,10,18H,7-8H2/t10-/m0/s1.
What are the key properties of (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol?
(2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol has a molecular weight of 303.31 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4,4-trifluoro-1-[3-(1,3-thiazol-2-yl)phenoxy]butan-2-ol is sourced from PubChem (CID 125140266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).