4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole

C6H2BrF6NOS — CID 102722065

IUPAC4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
SMILESFC(F)(F)C(Oc1nc(Br)cs1)C(F)(F)F
InChIInChI=1S/C6H2BrF6NOS/c7-2-1-16-4(14-2)15-3(5(8,9)10)6(11,12)13/h1,3H
InChIKeyZHAIASLOMFPOEO-UHFFFAOYSA-N
MW330.05 g/mol
LogP3.78
Rot. Bonds2

About 4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole

4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole (PubChem CID 102722065) has the molecular formula C6H2BrF6NOS and a molecular weight of 330.05 g/mol. Its IUPAC name is 4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
PubChem CID102722065
Molecular FormulaC6H2BrF6NOS
Molecular Weight330.05 g/mol
Exact Mass328.89
IUPAC Name4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
SMILESFC(F)(F)C(Oc1nc(Br)cs1)C(F)(F)F
InChIInChI=1S/C6H2BrF6NOS/c7-2-1-16-4(14-2)15-3(5(8,9)10)6(11,12)13/h1,3H
InChIKeyZHAIASLOMFPOEO-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.05
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-ethoxy-1,3-thiazole
CID 2763267
4-Bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 79399831
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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
CID 102722084
4-Bromo-2-(cyclobutoxy)thiazole
CID 45787532
4-Bromo-2-(oxetan-3-yloxy)thiazole
CID 121601226
4-Bromo-2-(ethoxy-d5)-thiazole
CID 45787507
4-Bromo-2-(iso-propoxy)thiazole
CID 45787536

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole (CID 102722065) is 4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole is FC(F)(F)C(Oc1nc(Br)cs1)C(F)(F)F.
What is the InChIKey of 4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole?
The InChIKey is ZHAIASLOMFPOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF6NOS/c7-2-1-16-4(14-2)15-3(5(8,9)10)6(11,12)13/h1,3H.
What are the key properties of 4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole?
4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole has a molecular weight of 330.05 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole is sourced from PubChem (CID 102722065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).