1-fluoro-4-methylbicyclo[2.2.2]octane

C9H15F — CID 549389

IUPAC1-fluoro-4-methylbicyclo[2.2.2]octane
SMILESCC12CCC(F)(CC1)CC2
InChIInChI=1S/C9H15F/c1-8-2-5-9(10,6-3-8)7-4-8/h2-7H2,1H3
InChIKeyRLFWCAIINARCAJ-UHFFFAOYSA-N
MW142.22 g/mol
LogP3.07
Rot. Bonds

About 1-fluoro-4-methylbicyclo[2.2.2]octane

1-fluoro-4-methylbicyclo[2.2.2]octane (PubChem CID 549389) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is 1-fluoro-4-methylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-fluoro-4-methylbicyclo[2.2.2]octane
PubChem CID549389
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name1-fluoro-4-methylbicyclo[2.2.2]octane
SMILESCC12CCC(F)(CC1)CC2
InChIInChI=1S/C9H15F/c1-8-2-5-9(10,6-3-8)7-4-8/h2-7H2,1H3
InChIKeyRLFWCAIINARCAJ-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-4-methylbicyclo[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-fluoro-4-methylbicyclo[2.2.2]octane?
The IUPAC name of 1-fluoro-4-methylbicyclo[2.2.2]octane (CID 549389) is 1-fluoro-4-methylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-fluoro-4-methylbicyclo[2.2.2]octane?
The canonical SMILES for 1-fluoro-4-methylbicyclo[2.2.2]octane is CC12CCC(F)(CC1)CC2.
What is the InChIKey of 1-fluoro-4-methylbicyclo[2.2.2]octane?
The InChIKey is RLFWCAIINARCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F/c1-8-2-5-9(10,6-3-8)7-4-8/h2-7H2,1H3.
What are the key properties of 1-fluoro-4-methylbicyclo[2.2.2]octane?
1-fluoro-4-methylbicyclo[2.2.2]octane has a molecular weight of 142.22 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylbicyclo[2.2.2]octane is sourced from PubChem (CID 549389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).