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

C11H17F4N3O2 — CID 103473080

IUPACN-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C11H17F4N3O2/c1-7(2)16-4-3-9-17-8(18-20-9)5-19-6-11(14,15)10(12)13/h7,10,16H,3-6H2,1-2H3
InChIKeyUXLFLXMILCBITA-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.03
Rot. Bonds9

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

N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (PubChem CID 103473080) has the molecular formula C11H17F4N3O2 and a molecular weight of 299.27 g/mol. Its IUPAC name is N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
PubChem CID103473080
Molecular FormulaC11H17F4N3O2
Molecular Weight299.27 g/mol
Exact Mass299.13
IUPAC NameN-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C11H17F4N3O2/c1-7(2)16-4-3-9-17-8(18-20-9)5-19-6-11(14,15)10(12)13/h7,10,16H,3-6H2,1-2H3
InChIKeyUXLFLXMILCBITA-UHFFFAOYSA-N
XLogP2.03
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (CID 103473080) is N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is CC(C)NCCc1nc(COCC(F)(F)C(F)F)no1.
What is the InChIKey of N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is UXLFLXMILCBITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4N3O2/c1-7(2)16-4-3-9-17-8(18-20-9)5-19-6-11(14,15)10(12)13/h7,10,16H,3-6H2,1-2H3.
What are the key properties of N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 299.27 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 103473080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).