3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C10H15F4N3O2 — CID 103473105

IUPAC3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(N)C(C)c1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C10H15F4N3O2/c1-5(6(2)15)8-16-7(17-19-8)3-18-4-10(13,14)9(11)12/h5-6,9H,3-4,15H2,1-2H3
InChIKeyAGLXWOIJPZVOPS-UHFFFAOYSA-N
MW285.24 g/mol
LogP1.94
Rot. Bonds7

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

3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 103473105) has the molecular formula C10H15F4N3O2 and a molecular weight of 285.24 g/mol. Its IUPAC name is 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID103473105
Molecular FormulaC10H15F4N3O2
Molecular Weight285.24 g/mol
Exact Mass285.11
IUPAC Name3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(N)C(C)c1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C10H15F4N3O2/c1-5(6(2)15)8-16-7(17-19-8)3-18-4-10(13,14)9(11)12/h5-6,9H,3-4,15H2,1-2H3
InChIKeyAGLXWOIJPZVOPS-UHFFFAOYSA-N
XLogP1.94
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 103473105) is 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(N)C(C)c1nc(COCC(F)(F)C(F)F)no1.
What is the InChIKey of 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is AGLXWOIJPZVOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4N3O2/c1-5(6(2)15)8-16-7(17-19-8)3-18-4-10(13,14)9(11)12/h5-6,9H,3-4,15H2,1-2H3.
What are the key properties of 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 285.24 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 103473105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).