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

C11H15F3N2OS — CID 103151301

IUPAC1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine
SMILESNC1(c2csc(CCOCC(F)(F)F)n2)CCC1
InChIInChI=1S/C11H15F3N2OS/c12-11(13,14)7-17-5-2-9-16-8(6-18-9)10(15)3-1-4-10/h6H,1-5,7,15H2
InChIKeyRKERPJHGQWKHKI-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.60
Rot. Bonds5

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

1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine (PubChem CID 103151301) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine
PubChem CID103151301
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine
SMILESNC1(c2csc(CCOCC(F)(F)F)n2)CCC1
InChIInChI=1S/C11H15F3N2OS/c12-11(13,14)7-17-5-2-9-16-8(6-18-9)10(15)3-1-4-10/h6H,1-5,7,15H2
InChIKeyRKERPJHGQWKHKI-UHFFFAOYSA-N
XLogP2.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.60
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-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine (CID 103151301) is 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine is NC1(c2csc(CCOCC(F)(F)F)n2)CCC1.
What is the InChIKey of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine?
The InChIKey is RKERPJHGQWKHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c12-11(13,14)7-17-5-2-9-16-8(6-18-9)10(15)3-1-4-10/h6H,1-5,7,15H2.
What are the key properties of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine?
1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine has a molecular weight of 280.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 103151301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).