1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol

C14H14F3NO2S — CID 103476126

IUPAC1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
SMILESOC(Cc1csc(COCC(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C14H14F3NO2S/c15-14(16,17)9-20-7-13-18-11(8-21-13)6-12(19)10-4-2-1-3-5-10/h1-5,8,12,19H,6-7,9H2
InChIKeyFCLZQMKFVJHXRS-UHFFFAOYSA-N
MW317.33 g/mol
LogP3.50
Rot. Bonds6

About 1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol

1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 103476126) has the molecular formula C14H14F3NO2S and a molecular weight of 317.33 g/mol. Its IUPAC name is 1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
PubChem CID103476126
Molecular FormulaC14H14F3NO2S
Molecular Weight317.33 g/mol
Exact Mass317.07
IUPAC Name1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
SMILESOC(Cc1csc(COCC(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C14H14F3NO2S/c15-14(16,17)9-20-7-13-18-11(8-21-13)6-12(19)10-4-2-1-3-5-10/h1-5,8,12,19H,6-7,9H2
InChIKeyFCLZQMKFVJHXRS-UHFFFAOYSA-N
XLogP3.50
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104952588
2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]acetonitrile
CID 103476673
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
CID 62366704
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 116775236
phenyl-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 103213288
2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 103473361
4-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 104932543
2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 79712451
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol
CID 62364984
2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
CID 62754698
2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
CID 62752810

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol (CID 103476126) is 1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol is OC(Cc1csc(COCC(F)(F)F)n1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is FCLZQMKFVJHXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2S/c15-14(16,17)9-20-7-13-18-11(8-21-13)6-12(19)10-4-2-1-3-5-10/h1-5,8,12,19H,6-7,9H2.
What are the key properties of 1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol?
1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 317.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 103476126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).