6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine

C11H18F3N3O — CID 104925356

IUPAC6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
SMILESCc1nc(CCNC(C)CCCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O/c1-8(4-3-6-11(12,13)14)15-7-5-10-16-9(2)18-17-10/h8,15H,3-7H2,1-2H3
InChIKeyBCRFEDVSUCXWOZ-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.63
Rot. Bonds7

About 6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine

6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine (PubChem CID 104925356) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
PubChem CID104925356
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
SMILESCc1nc(CCNC(C)CCCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O/c1-8(4-3-6-11(12,13)14)15-7-5-10-16-9(2)18-17-10/h8,15H,3-7H2,1-2H3
InChIKeyBCRFEDVSUCXWOZ-UHFFFAOYSA-N
XLogP2.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine (CID 104925356) is 6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine is Cc1nc(CCNC(C)CCCC(F)(F)F)no1.
What is the InChIKey of 6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
The InChIKey is BCRFEDVSUCXWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-8(4-3-6-11(12,13)14)15-7-5-10-16-9(2)18-17-10/h8,15H,3-7H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 104925356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).