2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C11H16F3N3O2 — CID 103146144

IUPAC2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1CCCC1c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)6-18-5-4-9-16-10(19-17-9)7-2-1-3-8(7)15/h7-8H,1-6,15H2
InChIKeyVJNDBUNATSYYJY-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.79
Rot. Bonds5

About 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 103146144) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID103146144
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1CCCC1c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)6-18-5-4-9-16-10(19-17-9)7-2-1-3-8(7)15/h7-8H,1-6,15H2
InChIKeyVJNDBUNATSYYJY-UHFFFAOYSA-N
XLogP1.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.79
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 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 103146144) is 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is NC1CCCC1c1nc(CCOCC(F)(F)F)no1.
What is the InChIKey of 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is VJNDBUNATSYYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)6-18-5-4-9-16-10(19-17-9)7-2-1-3-8(7)15/h7-8H,1-6,15H2.
What are the key properties of 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 279.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 103146144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).