N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine

C10H16F3N3O2 — CID 103212008

IUPACN-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(CCOCC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O2/c1-3-14-7(2)9-16-15-8(18-9)4-5-17-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyBCMIKRUNPVBHAH-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.86
Rot. Bonds7

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

N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 103212008) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID103212008
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(CCOCC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O2/c1-3-14-7(2)9-16-15-8(18-9)4-5-17-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyBCMIKRUNPVBHAH-UHFFFAOYSA-N
XLogP1.86
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.86
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 N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 103212008) is N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(CCOCC(F)(F)F)o1.
What is the InChIKey of N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is BCMIKRUNPVBHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-3-14-7(2)9-16-15-8(18-9)4-5-17-6-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 267.25 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 103212008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).