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

C12H9F4NOS — CID 112642086

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H9F4NOS/c13-10-2-1-7(3-9(10)12(14,15)16)11(18)4-8-5-17-6-19-8/h1-3,5-6,11,18H,4H2
InChIKeyHSQBGTUXPUAIIK-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.58
Rot. Bonds3

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

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 112642086) has the molecular formula C12H9F4NOS and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
PubChem CID112642086
Molecular FormulaC12H9F4NOS
Molecular Weight291.27 g/mol
Exact Mass291.03
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H9F4NOS/c13-10-2-1-7(3-9(10)12(14,15)16)11(18)4-8-5-17-6-19-8/h1-3,5-6,11,18H,4H2
InChIKeyHSQBGTUXPUAIIK-UHFFFAOYSA-N
XLogP3.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105332123
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 130594756
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
1-(2-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641866
1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830443
1-(5-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 105123242
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641845
1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642027
(1R,3R)-3-amino-4,4,4-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171237779
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol
CID 107292150

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol (CID 112642086) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol is OC(Cc1cncs1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is HSQBGTUXPUAIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NOS/c13-10-2-1-7(3-9(10)12(14,15)16)11(18)4-8-5-17-6-19-8/h1-3,5-6,11,18H,4H2.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 291.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 112642086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).