5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole

C12H13ClF3NS — CID 106784247

IUPAC5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC1(C)CC(c2cnc(C(F)(F)F)s2)=CC(Cl)C1
InChIInChI=1S/C12H13ClF3NS/c1-11(2)4-7(3-8(13)5-11)9-6-17-10(18-9)12(14,15)16/h3,6,8H,4-5H2,1-2H3
InChIKeyIAAFHQHROGEEFQ-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.97
Rot. Bonds1

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

5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784247) has the molecular formula C12H13ClF3NS and a molecular weight of 295.76 g/mol. Its IUPAC name is 5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784247
Molecular FormulaC12H13ClF3NS
Molecular Weight295.76 g/mol
Exact Mass295.04
IUPAC Name5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC1(C)CC(c2cnc(C(F)(F)F)s2)=CC(Cl)C1
InChIInChI=1S/C12H13ClF3NS/c1-11(2)4-7(3-8(13)5-11)9-6-17-10(18-9)12(14,15)16/h3,6,8H,4-5H2,1-2H3
InChIKeyIAAFHQHROGEEFQ-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.97
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-[3-Chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-2-methyl-1,3-thiazole
CID 79452811
5-[3-Chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]-2-methyl-1,3-thiazole
CID 79453740
5-[3-Chloro-2-(chloromethyl)-2-(2-fluorophenyl)propyl]-2-methyl-1,3-thiazole
CID 79454014
5-(2-Chlorocyclohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784059
5,5-Dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
CID 106784193
5-(3-Chlorocyclohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784219
5-(3-Chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784225
5-(4-Chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784238
5-(4-Chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784240
5-(3-Chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784246
5-(3-Chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784248
5-(3-Chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784249

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784247) is 5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole is CC1(C)CC(c2cnc(C(F)(F)F)s2)=CC(Cl)C1.
What is the InChIKey of 5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is IAAFHQHROGEEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NS/c1-11(2)4-7(3-8(13)5-11)9-6-17-10(18-9)12(14,15)16/h3,6,8H,4-5H2,1-2H3.
What are the key properties of 5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 295.76 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).