3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one

C8H10F3NO2S — CID 115659265

IUPAC3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCCOCC(F)(F)F
InChIInChI=1S/C8H10F3NO2S/c9-8(10,11)6-14-4-1-2-12-3-5-15-7(12)13/h3,5H,1-2,4,6H2
InChIKeySGNOUPRAWWZHJB-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.88
Rot. Bonds5

About 3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one

3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one (PubChem CID 115659265) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one
PubChem CID115659265
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Name3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCCOCC(F)(F)F
InChIInChI=1S/C8H10F3NO2S/c9-8(10,11)6-14-4-1-2-12-3-5-15-7(12)13/h3,5H,1-2,4,6H2
InChIKeySGNOUPRAWWZHJB-UHFFFAOYSA-N
XLogP1.88
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.88
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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Related Compounds

3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-2-one
CID 115659269
3-[3-(2-Methoxyethoxy)propyl]-1,3-thiazol-2-one
CID 103413341
3-(3-Ethoxypropyl)-1,3-thiazol-2-one
CID 115659292
3-(3-Methoxypropyl)-1,3-thiazol-2-one
CID 115736833

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one (CID 115659265) is 3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one is O=c1sccn1CCCOCC(F)(F)F.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one?
The InChIKey is SGNOUPRAWWZHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c9-8(10,11)6-14-4-1-2-12-3-5-15-7(12)13/h3,5H,1-2,4,6H2.
What are the key properties of 3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one?
3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one has a molecular weight of 241.23 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115659265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).