4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole

C10H13ClF3NOS — CID 54966697

IUPAC4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole
SMILESFC(F)(F)COCCCCc1nc(CCl)cs1
InChIInChI=1S/C10H13ClF3NOS/c11-5-8-6-17-9(15-8)3-1-2-4-16-7-10(12,13)14/h6H,1-5,7H2
InChIKeyIYBWLWUWACVCFY-UHFFFAOYSA-N
MW287.73 g/mol
LogP3.78
Rot. Bonds7

About 4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole

4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole (PubChem CID 54966697) has the molecular formula C10H13ClF3NOS and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole
PubChem CID54966697
Molecular FormulaC10H13ClF3NOS
Molecular Weight287.73 g/mol
Exact Mass287.04
IUPAC Name4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole
SMILESFC(F)(F)COCCCCc1nc(CCl)cs1
InChIInChI=1S/C10H13ClF3NOS/c11-5-8-6-17-9(15-8)3-1-2-4-16-7-10(12,13)14/h6H,1-5,7H2
InChIKeyIYBWLWUWACVCFY-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Chloromethyl)-2-(tetrahydro-2-furanyl)thiazole
CID 65331177
4-(Chloromethyl)-2-(tetrahydro-2-furanyl)thiazole
CID 65331177
4-(Chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 43138233
4-(Chloromethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 43138233
4-(Chloromethyl)-2-[1-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
CID 61695877
4-(Chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole
CID 66276127
4-(Chloromethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole
CID 66276127
4-(Chloromethyl)-2-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole
CID 66276348
4-(Chloromethyl)-2-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]-1,3-thiazole
CID 66276348
4-(Chloromethyl)-2-[1-(2,2-difluoroethoxy)propyl]-1,3-thiazole
CID 82005625
4-(Chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
CID 82005930
4-(Chloromethyl)-2-((2,2-difluoroethoxy)methyl)thiazole
CID 82007145

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole (CID 54966697) is 4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole is FC(F)(F)COCCCCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole?
The InChIKey is IYBWLWUWACVCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NOS/c11-5-8-6-17-9(15-8)3-1-2-4-16-7-10(12,13)14/h6H,1-5,7H2.
What are the key properties of 4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole?
4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole has a molecular weight of 287.73 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole is sourced from PubChem (CID 54966697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).