4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine

C11H15F3N2O2S — CID 103151284

IUPAC4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine
SMILESNC1COCC1c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2S/c12-11(13,14)6-17-2-1-10-16-9(5-19-10)7-3-18-4-8(7)15/h5,7-8H,1-4,6,15H2
InChIKeyMCFZDKDCZYYWAM-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.71
Rot. Bonds5

About 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine

4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine (PubChem CID 103151284) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine
PubChem CID103151284
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine
SMILESNC1COCC1c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2S/c12-11(13,14)6-17-2-1-10-16-9(5-19-10)7-3-18-4-8(7)15/h5,7-8H,1-4,6,15H2
InChIKeyMCFZDKDCZYYWAM-UHFFFAOYSA-N
XLogP1.71
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
The IUPAC name of 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine (CID 103151284) is 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine.
What is the SMILES notation for 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
The canonical SMILES for 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine is NC1COCC1c1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
The InChIKey is MCFZDKDCZYYWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c12-11(13,14)6-17-2-1-10-16-9(5-19-10)7-3-18-4-8(7)15/h5,7-8H,1-4,6,15H2.
What are the key properties of 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine has a molecular weight of 296.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine is sourced from PubChem (CID 103151284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).