4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole

C8H10ClF2NOS — CID 82005930

IUPAC4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
SMILESCC(OCC(F)F)c1nc(CCl)cs1
InChIInChI=1S/C8H10ClF2NOS/c1-5(13-3-7(10)11)8-12-6(2-9)4-14-8/h4-5,7H,2-3H2,1H3
InChIKeySRIQNMQVKWJUNZ-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.22
Rot. Bonds5

About 4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole

4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole (PubChem CID 82005930) has the molecular formula C8H10ClF2NOS and a molecular weight of 241.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
PubChem CID82005930
Molecular FormulaC8H10ClF2NOS
Molecular Weight241.69 g/mol
Exact Mass241.01
IUPAC Name4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
SMILESCC(OCC(F)F)c1nc(CCl)cs1
InChIInChI=1S/C8H10ClF2NOS/c1-5(13-3-7(10)11)8-12-6(2-9)4-14-8/h4-5,7H,2-3H2,1H3
InChIKeySRIQNMQVKWJUNZ-UHFFFAOYSA-N
XLogP3.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.22
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-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole (CID 82005930) is 4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole is CC(OCC(F)F)c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
The InChIKey is SRIQNMQVKWJUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2NOS/c1-5(13-3-7(10)11)8-12-6(2-9)4-14-8/h4-5,7H,2-3H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole has a molecular weight of 241.69 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[1-(2,2-difluoroethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 82005930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).