4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole

C6H3ClF5NOS — CID 83153589

IUPAC4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole
SMILESFC(F)(F)C(F)(F)COc1nc(Cl)cs1
InChIInChI=1S/C6H3ClF5NOS/c7-3-1-15-4(13-3)14-2-5(8,9)6(10,11)12/h1H,2H2
InChIKeyXMAKQXRRHCZKHL-UHFFFAOYSA-N
MW267.61 g/mol
LogP3.37
Rot. Bonds3

About 4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole

4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole (PubChem CID 83153589) has the molecular formula C6H3ClF5NOS and a molecular weight of 267.61 g/mol. Its IUPAC name is 4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole
PubChem CID83153589
Molecular FormulaC6H3ClF5NOS
Molecular Weight267.61 g/mol
Exact Mass266.95
IUPAC Name4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole
SMILESFC(F)(F)C(F)(F)COc1nc(Cl)cs1
InChIInChI=1S/C6H3ClF5NOS/c7-3-1-15-4(13-3)14-2-5(8,9)6(10,11)12/h1H,2H2
InChIKeyXMAKQXRRHCZKHL-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.61
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole (CID 83153589) is 4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole is FC(F)(F)C(F)(F)COc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole?
The InChIKey is XMAKQXRRHCZKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF5NOS/c7-3-1-15-4(13-3)14-2-5(8,9)6(10,11)12/h1H,2H2.
What are the key properties of 4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole?
4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole has a molecular weight of 267.61 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole is sourced from PubChem (CID 83153589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).