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

C9H14F3N3O2 — CID 114183949

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCc1ncno1
InChIInChI=1S/C9H14F3N3O2/c10-9(11,12)6-16-5-1-3-13-4-2-8-14-7-15-17-8/h7,13H,1-6H2
InChIKeySKWFJUJPQYCFDJ-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.17
Rot. Bonds8

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

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 114183949) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID114183949
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCc1ncno1
InChIInChI=1S/C9H14F3N3O2/c10-9(11,12)6-16-5-1-3-13-4-2-8-14-7-15-17-8/h7,13H,1-6H2
InChIKeySKWFJUJPQYCFDJ-UHFFFAOYSA-N
XLogP1.17
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.17
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-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 114183949) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCCc1ncno1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is SKWFJUJPQYCFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c10-9(11,12)6-16-5-1-3-13-4-2-8-14-7-15-17-8/h7,13H,1-6H2.
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 253.22 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 114183949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).