4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane

C10H18FN — CID 155397516

IUPAC4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane
SMILESCC(C)C1CN2CCC1(F)CC2
InChIInChI=1S/C10H18FN/c1-8(2)9-7-12-5-3-10(9,11)4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyQEDLPQIBWBWZCE-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.08
Rot. Bonds1

About 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane

4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane (PubChem CID 155397516) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane
PubChem CID155397516
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane
SMILESCC(C)C1CN2CCC1(F)CC2
InChIInChI=1S/C10H18FN/c1-8(2)9-7-12-5-3-10(9,11)4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyQEDLPQIBWBWZCE-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane?
The IUPAC name of 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane (CID 155397516) is 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane is CC(C)C1CN2CCC1(F)CC2.
What is the InChIKey of 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane?
The InChIKey is QEDLPQIBWBWZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)9-7-12-5-3-10(9,11)4-6-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane?
4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane has a molecular weight of 171.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 155397516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).