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

C7H8ClF2NOS — CID 82007145

IUPAC4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole
SMILESFC(F)COCc1nc(CCl)cs1
InChIInChI=1S/C7H8ClF2NOS/c8-1-5-4-13-7(11-5)3-12-2-6(9)10/h4,6H,1-3H2
InChIKeyIWIKYMXPCIFXMH-UHFFFAOYSA-N
MW227.66 g/mol
LogP2.66
Rot. Bonds5

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

4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole (PubChem CID 82007145) has the molecular formula C7H8ClF2NOS and a molecular weight of 227.66 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole
PubChem CID82007145
Molecular FormulaC7H8ClF2NOS
Molecular Weight227.66 g/mol
Exact Mass227.00
IUPAC Name4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole
SMILESFC(F)COCc1nc(CCl)cs1
InChIInChI=1S/C7H8ClF2NOS/c8-1-5-4-13-7(11-5)3-12-2-6(9)10/h4,6H,1-3H2
InChIKeyIWIKYMXPCIFXMH-UHFFFAOYSA-N
XLogP2.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.66
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-difluoroethoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole (CID 82007145) is 4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole is FC(F)COCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole?
The InChIKey is IWIKYMXPCIFXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2NOS/c8-1-5-4-13-7(11-5)3-12-2-6(9)10/h4,6H,1-3H2.
What are the key properties of 4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole?
4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole has a molecular weight of 227.66 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,2-difluoroethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 82007145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).