4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

C9H12F3NO2S — CID 107511958

IUPAC4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESCOCc1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C9H12F3NO2S/c1-14-4-7-5-16-8(13-7)2-3-15-6-9(10,11)12/h5H,2-4,6H2,1H3
InChIKeyBBYWVKUNPWRUAC-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.41
Rot. Bonds6

About 4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (PubChem CID 107511958) has the molecular formula C9H12F3NO2S and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
PubChem CID107511958
Molecular FormulaC9H12F3NO2S
Molecular Weight255.26 g/mol
Exact Mass255.05
IUPAC Name4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESCOCc1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C9H12F3NO2S/c1-14-4-7-5-16-8(13-7)2-3-15-6-9(10,11)12/h5H,2-4,6H2,1H3
InChIKeyBBYWVKUNPWRUAC-UHFFFAOYSA-N
XLogP2.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (CID 107511958) is 4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is COCc1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The InChIKey is BBYWVKUNPWRUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2S/c1-14-4-7-5-16-8(13-7)2-3-15-6-9(10,11)12/h5H,2-4,6H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole has a molecular weight of 255.26 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 107511958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).