6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine

C13H23F3N2O — CID 116535368

IUPAC6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
SMILESCC(CN)(CCCC(F)(F)F)N1CC2CCC(C1)O2
InChIInChI=1S/C13H23F3N2O/c1-12(9-17,5-2-6-13(14,15)16)18-7-10-3-4-11(8-18)19-10/h10-11H,2-9,17H2,1H3
InChIKeyJTUAFOUNAVUTJE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.30
Rot. Bonds5

About 6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine

6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine (PubChem CID 116535368) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
PubChem CID116535368
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
SMILESCC(CN)(CCCC(F)(F)F)N1CC2CCC(C1)O2
InChIInChI=1S/C13H23F3N2O/c1-12(9-17,5-2-6-13(14,15)16)18-7-10-3-4-11(8-18)19-10/h10-11H,2-9,17H2,1H3
InChIKeyJTUAFOUNAVUTJE-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine (CID 116535368) is 6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine is CC(CN)(CCCC(F)(F)F)N1CC2CCC(C1)O2.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
The InChIKey is JTUAFOUNAVUTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-12(9-17,5-2-6-13(14,15)16)18-7-10-3-4-11(8-18)19-10/h10-11H,2-9,17H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine has a molecular weight of 280.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine is sourced from PubChem (CID 116535368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).