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

C6H4ClF4NOS — CID 83152026

IUPAC4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole
SMILESFC(F)C(F)(F)COc1nc(Cl)cs1
InChIInChI=1S/C6H4ClF4NOS/c7-3-1-14-5(12-3)13-2-6(10,11)4(8)9/h1,4H,2H2
InChIKeyKKNQSTRGBIUJNC-UHFFFAOYSA-N
MW249.62 g/mol
LogP3.08
Rot. Bonds4

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

4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole (PubChem CID 83152026) has the molecular formula C6H4ClF4NOS and a molecular weight of 249.62 g/mol. Its IUPAC name is 4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole
PubChem CID83152026
Molecular FormulaC6H4ClF4NOS
Molecular Weight249.62 g/mol
Exact Mass248.96
IUPAC Name4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole
SMILESFC(F)C(F)(F)COc1nc(Cl)cs1
InChIInChI=1S/C6H4ClF4NOS/c7-3-1-14-5(12-3)13-2-6(10,11)4(8)9/h1,4H,2H2
InChIKeyKKNQSTRGBIUJNC-UHFFFAOYSA-N
XLogP3.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 53.08
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-tetrafluoropropoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole (CID 83152026) is 4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole is FC(F)C(F)(F)COc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole?
The InChIKey is KKNQSTRGBIUJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF4NOS/c7-3-1-14-5(12-3)13-2-6(10,11)4(8)9/h1,4H,2H2.
What are the key properties of 4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole?
4-chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole has a molecular weight of 249.62 g/mol, XLogP of 3.08, 4 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-tetrafluoropropoxy)-1,3-thiazole is sourced from PubChem (CID 83152026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).