[1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

C12H18F3N3O2 — CID 103145955

IUPAC[1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(CCOCC(F)(F)F)no2)CCCC1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)8-19-6-3-9-17-10(20-18-9)11(7-16)4-1-2-5-11/h1-8,16H2
InChIKeyINPGVXMAZSNQDA-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.96
Rot. Bonds6

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

[1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 103145955) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is [1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID103145955
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name[1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(CCOCC(F)(F)F)no2)CCCC1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)8-19-6-3-9-17-10(20-18-9)11(7-16)4-1-2-5-11/h1-8,16H2
InChIKeyINPGVXMAZSNQDA-UHFFFAOYSA-N
XLogP1.96
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.96
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 [1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 103145955) is [1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is NCC1(c2nc(CCOCC(F)(F)F)no2)CCCC1.
What is the InChIKey of [1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is INPGVXMAZSNQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c13-12(14,15)8-19-6-3-9-17-10(20-18-9)11(7-16)4-1-2-5-11/h1-8,16H2.
What are the key properties of [1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 293.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 103145955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).