2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

C7H7F4NOS — CID 103477025

IUPAC2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESFC(F)C(F)(F)COCc1nccs1
InChIInChI=1S/C7H7F4NOS/c8-6(9)7(10,11)4-13-3-5-12-1-2-14-5/h1-2,6H,3-4H2
InChIKeyZLDJFRTUFSWASW-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.56
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (PubChem CID 103477025) has the molecular formula C7H7F4NOS and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
PubChem CID103477025
Molecular FormulaC7H7F4NOS
Molecular Weight229.20 g/mol
Exact Mass229.02
IUPAC Name2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESFC(F)C(F)(F)COCc1nccs1
InChIInChI=1S/C7H7F4NOS/c8-6(9)7(10,11)4-13-3-5-12-1-2-14-5/h1-2,6H,3-4H2
InChIKeyZLDJFRTUFSWASW-UHFFFAOYSA-N
XLogP2.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.56
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 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (CID 103477025) is 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is FC(F)C(F)(F)COCc1nccs1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The InChIKey is ZLDJFRTUFSWASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4NOS/c8-6(9)7(10,11)4-13-3-5-12-1-2-14-5/h1-2,6H,3-4H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole has a molecular weight of 229.20 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103477025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).