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

C7H12FN3O — CID 58689305

IUPACN-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(CF)o1
InChIInChI=1S/C7H12FN3O/c1-2-9-4-3-6-10-11-7(5-8)12-6/h9H,2-5H2,1H3
InChIKeyZJTULQDHIZLFIL-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.69
Rot. Bonds5

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

N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 58689305) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID58689305
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC NameN-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(CF)o1
InChIInChI=1S/C7H12FN3O/c1-2-9-4-3-6-10-11-7(5-8)12-6/h9H,2-5H2,1H3
InChIKeyZJTULQDHIZLFIL-UHFFFAOYSA-N
XLogP0.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 58689305) is N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNCCc1nnc(CF)o1.
What is the InChIKey of N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is ZJTULQDHIZLFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c1-2-9-4-3-6-10-11-7(5-8)12-6/h9H,2-5H2,1H3.
What are the key properties of N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 173.19 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 58689305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).