1-ethyl-4-fluorobicyclo[2.2.2]octane

C10H17F — CID 12765176

IUPAC1-ethyl-4-fluorobicyclo[2.2.2]octane
SMILESCCC12CCC(F)(CC1)CC2
InChIInChI=1S/C10H17F/c1-2-9-3-6-10(11,7-4-9)8-5-9/h2-8H2,1H3
InChIKeyXYDAEZQLGJDHHY-UHFFFAOYSA-N
MW156.24 g/mol
LogP3.46
Rot. Bonds1

About 1-ethyl-4-fluorobicyclo[2.2.2]octane

1-ethyl-4-fluorobicyclo[2.2.2]octane (PubChem CID 12765176) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is 1-ethyl-4-fluorobicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethyl-4-fluorobicyclo[2.2.2]octane
PubChem CID12765176
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name1-ethyl-4-fluorobicyclo[2.2.2]octane
SMILESCCC12CCC(F)(CC1)CC2
InChIInChI=1S/C10H17F/c1-2-9-3-6-10(11,7-4-9)8-5-9/h2-8H2,1H3
InChIKeyXYDAEZQLGJDHHY-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-4-fluorobicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluorobicyclo[2.2.2]octane?
The IUPAC name of 1-ethyl-4-fluorobicyclo[2.2.2]octane (CID 12765176) is 1-ethyl-4-fluorobicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethyl-4-fluorobicyclo[2.2.2]octane?
The canonical SMILES for 1-ethyl-4-fluorobicyclo[2.2.2]octane is CCC12CCC(F)(CC1)CC2.
What is the InChIKey of 1-ethyl-4-fluorobicyclo[2.2.2]octane?
The InChIKey is XYDAEZQLGJDHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F/c1-2-9-3-6-10(11,7-4-9)8-5-9/h2-8H2,1H3.
What are the key properties of 1-ethyl-4-fluorobicyclo[2.2.2]octane?
1-ethyl-4-fluorobicyclo[2.2.2]octane has a molecular weight of 156.24 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluorobicyclo[2.2.2]octane is sourced from PubChem (CID 12765176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).