5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole

C8H9ClF3NS — CID 106784066

IUPAC5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(Cl)C(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H9ClF3NS/c1-4(5(2)9)6-3-13-7(14-6)8(10,11)12/h3-5H,1-2H3
InChIKeyAUGFFFKHTNUSDA-UHFFFAOYSA-N
MW243.68 g/mol
LogP3.89
Rot. Bonds2

About 5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784066) has the molecular formula C8H9ClF3NS and a molecular weight of 243.68 g/mol. Its IUPAC name is 5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784066
Molecular FormulaC8H9ClF3NS
Molecular Weight243.68 g/mol
Exact Mass243.01
IUPAC Name5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(Cl)C(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H9ClF3NS/c1-4(5(2)9)6-3-13-7(14-6)8(10,11)12/h3-5H,1-2H3
InChIKeyAUGFFFKHTNUSDA-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.68
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-Propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 57698657
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
2-(1,1-Difluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 66804063
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-Propan-2-yl-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104469986
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-(4-Fluorobutyl)-2-methyl-1,3-thiazole
CID 141873778
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
5-But-3-en-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144946172
2-Methyl-5-(1,1,1-trifluorobutan-2-yl)-1,3-thiazole;molybdenum
CID 145515244
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784066) is 5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole is CC(Cl)C(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is AUGFFFKHTNUSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NS/c1-4(5(2)9)6-3-13-7(14-6)8(10,11)12/h3-5H,1-2H3.
What are the key properties of 5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 243.68 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).