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

C12H9ClF3NO2S — CID 106786505

IUPAC2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESOC(COc1cccc(Cl)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H9ClF3NO2S/c13-7-2-1-3-8(4-7)19-6-9(18)10-5-17-11(20-10)12(14,15)16/h1-5,9,18H,6H2
InChIKeyNQRPKGZSXVLQSG-UHFFFAOYSA-N
MW323.72 g/mol
LogP3.93
Rot. Bonds4

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

2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 106786505) has the molecular formula C12H9ClF3NO2S and a molecular weight of 323.72 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
PubChem CID106786505
Molecular FormulaC12H9ClF3NO2S
Molecular Weight323.72 g/mol
Exact Mass323.00
IUPAC Name2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESOC(COc1cccc(Cl)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H9ClF3NO2S/c13-7-2-1-3-8(4-7)19-6-9(18)10-5-17-11(20-10)12(14,15)16/h1-5,9,18H,6H2
InChIKeyNQRPKGZSXVLQSG-UHFFFAOYSA-N
XLogP3.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.72
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-1-thiophen-2-ylethanol
CID 115766337
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782715
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
CID 167854837
(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782299
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782172
2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol
CID 105098116
1-(3-chlorophenoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729480
2-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782739
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (CID 106786505) is 2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is OC(COc1cccc(Cl)c1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is NQRPKGZSXVLQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO2S/c13-7-2-1-3-8(4-7)19-6-9(18)10-5-17-11(20-10)12(14,15)16/h1-5,9,18H,6H2.
What are the key properties of 2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 323.72 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 106786505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).