8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane

C16H30FN — CID 157221735

IUPAC8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane
SMILESCC(C)C1C2CN(C(C)C)C(CC2F)C1C(C)C
InChIInChI=1S/C16H30FN/c1-9(2)15-12-8-18(11(5)6)14(7-13(12)17)16(15)10(3)4/h9-16H,7-8H2,1-6H3
InChIKeyRPSBJVBWUZZTFH-UHFFFAOYSA-N
MW255.42 g/mol
LogP3.98
Rot. Bonds3

About 8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane

8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane (PubChem CID 157221735) has the molecular formula C16H30FN and a molecular weight of 255.42 g/mol. Its IUPAC name is 8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane
PubChem CID157221735
Molecular FormulaC16H30FN
Molecular Weight255.42 g/mol
Exact Mass255.24
IUPAC Name8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane
SMILESCC(C)C1C2CN(C(C)C)C(CC2F)C1C(C)C
InChIInChI=1S/C16H30FN/c1-9(2)15-12-8-18(11(5)6)14(7-13(12)17)16(15)10(3)4/h9-16H,7-8H2,1-6H3
InChIKeyRPSBJVBWUZZTFH-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane?
The IUPAC name of 8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane (CID 157221735) is 8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane is CC(C)C1C2CN(C(C)C)C(CC2F)C1C(C)C.
What is the InChIKey of 8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane?
The InChIKey is RPSBJVBWUZZTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FN/c1-9(2)15-12-8-18(11(5)6)14(7-13(12)17)16(15)10(3)4/h9-16H,7-8H2,1-6H3.
What are the key properties of 8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane?
8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane has a molecular weight of 255.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,5,6-tri(propan-2-yl)-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 157221735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).