2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole

C6H6BrF2NOS — CID 166088582

IUPAC2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole
SMILESFC(F)COc1cnc(CBr)s1
InChIInChI=1S/C6H6BrF2NOS/c7-1-5-10-2-6(12-5)11-3-4(8)9/h2,4H,1,3H2
InChIKeyCPXLSYRMUORZGE-UHFFFAOYSA-N
MW258.09 g/mol
LogP2.68
Rot. Bonds4

About 2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole

2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole (PubChem CID 166088582) has the molecular formula C6H6BrF2NOS and a molecular weight of 258.09 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole
PubChem CID166088582
Molecular FormulaC6H6BrF2NOS
Molecular Weight258.09 g/mol
Exact Mass256.93
IUPAC Name2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole
SMILESFC(F)COc1cnc(CBr)s1
InChIInChI=1S/C6H6BrF2NOS/c7-1-5-10-2-6(12-5)11-3-4(8)9/h2,4H,1,3H2
InChIKeyCPXLSYRMUORZGE-UHFFFAOYSA-N
XLogP2.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.68
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 2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole (CID 166088582) is 2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole is FC(F)COc1cnc(CBr)s1.
What is the InChIKey of 2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole?
The InChIKey is CPXLSYRMUORZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2NOS/c7-1-5-10-2-6(12-5)11-3-4(8)9/h2,4H,1,3H2.
What are the key properties of 2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole?
2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole has a molecular weight of 258.09 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 166088582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).