2,2-difluorobicyclo[2.2.2]octane

C8H12F2 — CID 45090368

IUPAC2,2-difluorobicyclo[2.2.2]octane
SMILESFC1(F)CC2CCC1CC2
InChIInChI=1S/C8H12F2/c9-8(10)5-6-1-3-7(8)4-2-6/h6-7H,1-5H2
InChIKeyOQISDFGMWXMJIF-UHFFFAOYSA-N
MW146.18 g/mol
LogP2.83
Rot. Bonds

About 2,2-difluorobicyclo[2.2.2]octane

2,2-difluorobicyclo[2.2.2]octane (PubChem CID 45090368) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 2,2-difluorobicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,2-difluorobicyclo[2.2.2]octane
PubChem CID45090368
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name2,2-difluorobicyclo[2.2.2]octane
SMILESFC1(F)CC2CCC1CC2
InChIInChI=1S/C8H12F2/c9-8(10)5-6-1-3-7(8)4-2-6/h6-7H,1-5H2
InChIKeyOQISDFGMWXMJIF-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobicyclo[2.2.2]octane?
The IUPAC name of 2,2-difluorobicyclo[2.2.2]octane (CID 45090368) is 2,2-difluorobicyclo[2.2.2]octane.
What is the SMILES notation for 2,2-difluorobicyclo[2.2.2]octane?
The canonical SMILES for 2,2-difluorobicyclo[2.2.2]octane is FC1(F)CC2CCC1CC2.
What is the InChIKey of 2,2-difluorobicyclo[2.2.2]octane?
The InChIKey is OQISDFGMWXMJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c9-8(10)5-6-1-3-7(8)4-2-6/h6-7H,1-5H2.
What are the key properties of 2,2-difluorobicyclo[2.2.2]octane?
2,2-difluorobicyclo[2.2.2]octane has a molecular weight of 146.18 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobicyclo[2.2.2]octane is sourced from PubChem (CID 45090368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).