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

C11H17F4N3O2 — CID 103473064

IUPAC3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)C(N)Cc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C11H17F4N3O2/c1-6(2)7(16)3-9-17-8(18-20-9)4-19-5-11(14,15)10(12)13/h6-7,10H,3-5,16H2,1-2H3
InChIKeyXPLKRUQSCKOEES-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.01
Rot. Bonds8

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

3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 103473064) has the molecular formula C11H17F4N3O2 and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID103473064
Molecular FormulaC11H17F4N3O2
Molecular Weight299.27 g/mol
Exact Mass299.13
IUPAC Name3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)C(N)Cc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C11H17F4N3O2/c1-6(2)7(16)3-9-17-8(18-20-9)4-19-5-11(14,15)10(12)13/h6-7,10H,3-5,16H2,1-2H3
InChIKeyXPLKRUQSCKOEES-UHFFFAOYSA-N
XLogP2.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103472963
2-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 103473101
N-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103473078
3-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103145958
2-methyl-N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103472897
2-methyl-3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880602
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
CID 103473115
4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 103472885
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 106814715
[1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 103473159
3-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 103473247
N-propyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 103476838

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 103473064) is 3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(C)C(N)Cc1nc(COCC(F)(F)C(F)F)no1.
What is the InChIKey of 3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is XPLKRUQSCKOEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4N3O2/c1-6(2)7(16)3-9-17-8(18-20-9)4-19-5-11(14,15)10(12)13/h6-7,10H,3-5,16H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 299.27 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 103473064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).