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

C9H11F6N3O — CID 103310923

IUPACN-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C9H11F6N3O/c1-2-16-4-3-5-17-18-7(19-5)6(8(10,11)12)9(13,14)15/h6,16H,2-4H2,1H3
InChIKeyDDNYOGCSPYQMIB-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.43
Rot. Bonds5

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

N-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 103310923) has the molecular formula C9H11F6N3O and a molecular weight of 291.20 g/mol. Its IUPAC name is N-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID103310923
Molecular FormulaC9H11F6N3O
Molecular Weight291.20 g/mol
Exact Mass291.08
IUPAC NameN-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C9H11F6N3O/c1-2-16-4-3-5-17-18-7(19-5)6(8(10,11)12)9(13,14)15/h6,16H,2-4H2,1H3
InChIKeyDDNYOGCSPYQMIB-UHFFFAOYSA-N
XLogP2.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.43
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-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 103310923) is N-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNCCc1nnc(C(C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of N-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is DDNYOGCSPYQMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6N3O/c1-2-16-4-3-5-17-18-7(19-5)6(8(10,11)12)9(13,14)15/h6,16H,2-4H2,1H3.
What are the key properties of N-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 291.20 g/mol, XLogP of 2.43, 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-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 103310923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).