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

C10H16F3N3O — CID 106396640

IUPAC6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCc1ncon1
InChIInChI=1S/C10H16F3N3O/c1-8(3-2-5-10(11,12)13)14-6-4-9-15-7-17-16-9/h7-8,14H,2-6H2,1H3
InChIKeyJGMGLNGLWRAKQM-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.32
Rot. Bonds7

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

6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine (PubChem CID 106396640) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
PubChem CID106396640
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCc1ncon1
InChIInChI=1S/C10H16F3N3O/c1-8(3-2-5-10(11,12)13)14-6-4-9-15-7-17-16-9/h7-8,14H,2-6H2,1H3
InChIKeyJGMGLNGLWRAKQM-UHFFFAOYSA-N
XLogP2.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.32
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-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine (CID 106396640) is 6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine is CC(CCCC(F)(F)F)NCCc1ncon1.
What is the InChIKey of 6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
The InChIKey is JGMGLNGLWRAKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-8(3-2-5-10(11,12)13)14-6-4-9-15-7-17-16-9/h7-8,14H,2-6H2,1H3.
What are the key properties of 6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine?
6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.32, 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-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 106396640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).