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

C10H12F6N2OS — CID 103151283

IUPAC1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(N)(c1csc(CCOCC(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C10H12F6N2OS/c1-8(17,10(14,15)16)6-4-20-7(18-6)2-3-19-5-9(11,12)13/h4H,2-3,5,17H2,1H3
InChIKeyZJOWJXLOUQPCGL-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.00
Rot. Bonds5

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

1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 103151283) has the molecular formula C10H12F6N2OS and a molecular weight of 322.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
PubChem CID103151283
Molecular FormulaC10H12F6N2OS
Molecular Weight322.27 g/mol
Exact Mass322.06
IUPAC Name1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(N)(c1csc(CCOCC(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C10H12F6N2OS/c1-8(17,10(14,15)16)6-4-20-7(18-6)2-3-19-5-9(11,12)13/h4H,2-3,5,17H2,1H3
InChIKeyZJOWJXLOUQPCGL-UHFFFAOYSA-N
XLogP3.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine (CID 103151283) is 1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine is CC(N)(c1csc(CCOCC(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is ZJOWJXLOUQPCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2OS/c1-8(17,10(14,15)16)6-4-20-7(18-6)2-3-19-5-9(11,12)13/h4H,2-3,5,17H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 322.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 103151283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).