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

C11H15F3N2O2S — CID 103151299

IUPAC3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine
SMILESNC1(c2csc(CCOCC(F)(F)F)n2)CCOC1
InChIInChI=1S/C11H15F3N2O2S/c12-11(13,14)7-17-3-1-9-16-8(5-19-9)10(15)2-4-18-6-10/h5H,1-4,6-7,15H2
InChIKeyOANBEIKATOOKRT-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.84
Rot. Bonds5

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

3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine (PubChem CID 103151299) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine
PubChem CID103151299
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine
SMILESNC1(c2csc(CCOCC(F)(F)F)n2)CCOC1
InChIInChI=1S/C11H15F3N2O2S/c12-11(13,14)7-17-3-1-9-16-8(5-19-9)10(15)2-4-18-6-10/h5H,1-4,6-7,15H2
InChIKeyOANBEIKATOOKRT-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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 3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
The IUPAC name of 3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine (CID 103151299) is 3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine.
What is the SMILES notation for 3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
The canonical SMILES for 3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine is NC1(c2csc(CCOCC(F)(F)F)n2)CCOC1.
What is the InChIKey of 3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
The InChIKey is OANBEIKATOOKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c12-11(13,14)7-17-3-1-9-16-8(5-19-9)10(15)2-4-18-6-10/h5H,1-4,6-7,15H2.
What are the key properties of 3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine?
3-[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 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]oxolan-3-amine is sourced from PubChem (CID 103151299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).