4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole

C5H3BrF3NOS — CID 79399831

IUPAC4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESFC(F)(F)COc1nc(Br)cs1
InChIInChI=1S/C5H3BrF3NOS/c6-3-1-12-4(10-3)11-2-5(7,8)9/h1H,2H2
InChIKeyIVZARVONFQIONR-UHFFFAOYSA-N
MW262.05 g/mol
LogP2.85
Rot. Bonds2

About 4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole

4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole (PubChem CID 79399831) has the molecular formula C5H3BrF3NOS and a molecular weight of 262.05 g/mol. Its IUPAC name is 4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
PubChem CID79399831
Molecular FormulaC5H3BrF3NOS
Molecular Weight262.05 g/mol
Exact Mass260.91
IUPAC Name4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESFC(F)(F)COc1nc(Br)cs1
InChIInChI=1S/C5H3BrF3NOS/c6-3-1-12-4(10-3)11-2-5(7,8)9/h1H,2H2
InChIKeyIVZARVONFQIONR-UHFFFAOYSA-N
XLogP2.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-ethoxy-1,3-thiazole
CID 2763267
4-Bromo-2-(trifluoromethyl)-1,3-thiazole
CID 15122066
4-Bromo-2-(difluoromethyl)-1,3-thiazole
CID 84783298
4-Bromo-2-(2,2-difluoroethoxy)-1,3-thiazole
CID 82004362
4-Bromo-2-(4,4,4-trifluorobutoxy)-1,3-thiazole
CID 82789090
4-Bromo-2-(3,3,3-trifluoropropoxy)-1,3-thiazole
CID 82954875
4-Bromo-2-(2-fluoroethoxy)-1,3-thiazole
CID 118262359
4-Bromo-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
CID 79400351
4-Chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 83153453
4-Bromo-2-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazole
CID 85871918
4-Bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
CID 102722065

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole (CID 79399831) is 4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole is FC(F)(F)COc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The InChIKey is IVZARVONFQIONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3NOS/c6-3-1-12-4(10-3)11-2-5(7,8)9/h1H,2H2.
What are the key properties of 4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole has a molecular weight of 262.05 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 79399831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).