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

C9H11F4NO2S — CID 107511840

IUPAC4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESCOCc1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H11F4NO2S/c1-15-2-6-4-17-7(14-6)3-16-5-9(12,13)8(10)11/h4,8H,2-3,5H2,1H3
InChIKeyOOVQASPXNJDADF-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.71
Rot. Bonds7

About 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (PubChem CID 107511840) has the molecular formula C9H11F4NO2S and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
PubChem CID107511840
Molecular FormulaC9H11F4NO2S
Molecular Weight273.25 g/mol
Exact Mass273.04
IUPAC Name4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESCOCc1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H11F4NO2S/c1-15-2-6-4-17-7(14-6)3-16-5-9(12,13)8(10)11/h4,8H,2-3,5H2,1H3
InChIKeyOOVQASPXNJDADF-UHFFFAOYSA-N
XLogP2.71
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (CID 107511840) is 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is COCc1csc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The InChIKey is OOVQASPXNJDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2S/c1-15-2-6-4-17-7(14-6)3-16-5-9(12,13)8(10)11/h4,8H,2-3,5H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole has a molecular weight of 273.25 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107511840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).