2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole

C10H15F2NOS — CID 103151259

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C10H15F2NOS/c1-7(2)8-6-15-10(13-8)3-4-14-5-9(11)12/h6-7,9H,3-5H2,1-2H3
InChIKeyTVTKIYAEYVJXJA-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.09
Rot. Bonds6

About 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole

2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 103151259) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole
PubChem CID103151259
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C10H15F2NOS/c1-7(2)8-6-15-10(13-8)3-4-14-5-9(11)12/h6-7,9H,3-5H2,1-2H3
InChIKeyTVTKIYAEYVJXJA-UHFFFAOYSA-N
XLogP3.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole (CID 103151259) is 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(CCOCC(F)F)n1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is TVTKIYAEYVJXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NOS/c1-7(2)8-6-15-10(13-8)3-4-14-5-9(11)12/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole?
2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 235.30 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 103151259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).