4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C6H5ClF3NS — CID 61392865

IUPAC4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1nc(CCl)cs1
InChIInChI=1S/C6H5ClF3NS/c7-2-4-3-12-5(11-4)1-6(8,9)10/h3H,1-2H2
InChIKeyRQKUKMDBGLQCEB-UHFFFAOYSA-N
MW215.63 g/mol
LogP2.99
Rot. Bonds2

About 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 61392865) has the molecular formula C6H5ClF3NS and a molecular weight of 215.63 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID61392865
Molecular FormulaC6H5ClF3NS
Molecular Weight215.63 g/mol
Exact Mass214.98
IUPAC Name4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1nc(CCl)cs1
InChIInChI=1S/C6H5ClF3NS/c7-2-4-3-12-5(11-4)1-6(8,9)10/h3H,1-2H2
InChIKeyRQKUKMDBGLQCEB-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 61392865) is 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is FC(F)(F)Cc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is RQKUKMDBGLQCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3NS/c7-2-4-3-12-5(11-4)1-6(8,9)10/h3H,1-2H2.
What are the key properties of 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 215.63 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 61392865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).