5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C11H7ClF3NS — CID 22647608

IUPAC5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2ncc(CCl)s2)cc1
InChIInChI=1S/C11H7ClF3NS/c12-5-9-6-16-10(17-9)7-1-3-8(4-2-7)11(13,14)15/h1-4,6H,5H2
InChIKeyZFRZFDQKGISMDU-UHFFFAOYSA-N
MW277.70 g/mol
LogP4.57
Rot. Bonds2

About 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 22647608) has the molecular formula C11H7ClF3NS and a molecular weight of 277.70 g/mol. Its IUPAC name is 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID22647608
Molecular FormulaC11H7ClF3NS
Molecular Weight277.70 g/mol
Exact Mass276.99
IUPAC Name5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2ncc(CCl)s2)cc1
InChIInChI=1S/C11H7ClF3NS/c12-5-9-6-16-10(17-9)7-1-3-8(4-2-7)11(13,14)15/h1-4,6H,5H2
InChIKeyZFRZFDQKGISMDU-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 54.57
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 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 22647608) is 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(-c2ncc(CCl)s2)cc1.
What is the InChIKey of 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is ZFRZFDQKGISMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NS/c12-5-9-6-16-10(17-9)7-1-3-8(4-2-7)11(13,14)15/h1-4,6H,5H2.
What are the key properties of 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 277.70 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 22647608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).