6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

C11H18F3N3O — CID 79953249

IUPAC6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESNCCCCCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)7-6-9-16-10(18-17-9)5-3-1-2-4-8-15/h1-8,15H2
InChIKeyFYSOQPKSAPIEHF-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.63
Rot. Bonds8

About 6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (PubChem CID 79953249) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
PubChem CID79953249
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESNCCCCCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)7-6-9-16-10(18-17-9)5-3-1-2-4-8-15/h1-8,15H2
InChIKeyFYSOQPKSAPIEHF-UHFFFAOYSA-N
XLogP2.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.63
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 6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The IUPAC name of 6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (CID 79953249) is 6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.
What is the SMILES notation for 6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The canonical SMILES for 6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is NCCCCCCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of 6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The InChIKey is FYSOQPKSAPIEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)7-6-9-16-10(18-17-9)5-3-1-2-4-8-15/h1-8,15H2.
What are the key properties of 6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine has a molecular weight of 265.28 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is sourced from PubChem (CID 79953249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).