2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane

C11H19FO — CID 13448358

IUPAC2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane
SMILESCCC1(F)CC2CCC1(OC)CC2
InChIInChI=1S/C11H19FO/c1-3-10(12)8-9-4-6-11(10,13-2)7-5-9/h9H,3-8H2,1-2H3
InChIKeyQHYXOBDMXDHUHZ-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.08
Rot. Bonds2

About 2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane

2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane (PubChem CID 13448358) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane
PubChem CID13448358
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane
SMILESCCC1(F)CC2CCC1(OC)CC2
InChIInChI=1S/C11H19FO/c1-3-10(12)8-9-4-6-11(10,13-2)7-5-9/h9H,3-8H2,1-2H3
InChIKeyQHYXOBDMXDHUHZ-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane?
The IUPAC name of 2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane (CID 13448358) is 2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane.
What is the SMILES notation for 2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane?
The canonical SMILES for 2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane is CCC1(F)CC2CCC1(OC)CC2.
What is the InChIKey of 2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane?
The InChIKey is QHYXOBDMXDHUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-3-10(12)8-9-4-6-11(10,13-2)7-5-9/h9H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane?
2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane has a molecular weight of 186.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoro-1-methoxybicyclo[2.2.2]octane is sourced from PubChem (CID 13448358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).