1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane

C11H18F2 — CID 118019671

IUPAC1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane
SMILESCCC12CCC(C(F)F)(CC1)CC2
InChIInChI=1S/C11H18F2/c1-2-10-3-6-11(7-4-10,8-5-10)9(12)13/h9H,2-8H2,1H3
InChIKeyMPIQOXVIHJVZPJ-UHFFFAOYSA-N
MW188.26 g/mol
LogP4.00
Rot. Bonds2

About 1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane

1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane (PubChem CID 118019671) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane
PubChem CID118019671
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane
SMILESCCC12CCC(C(F)F)(CC1)CC2
InChIInChI=1S/C11H18F2/c1-2-10-3-6-11(7-4-10,8-5-10)9(12)13/h9H,2-8H2,1H3
InChIKeyMPIQOXVIHJVZPJ-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(difluoromethyl)-4-ethylbicyclo[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-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane?
The IUPAC name of 1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane (CID 118019671) is 1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane?
The canonical SMILES for 1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane is CCC12CCC(C(F)F)(CC1)CC2.
What is the InChIKey of 1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane?
The InChIKey is MPIQOXVIHJVZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2/c1-2-10-3-6-11(7-4-10,8-5-10)9(12)13/h9H,2-8H2,1H3.
What are the key properties of 1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane?
1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane has a molecular weight of 188.26 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-ethylbicyclo[2.2.2]octane is sourced from PubChem (CID 118019671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).