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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Related Compounds

(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine
CID 131064547
2,3,3-trifluorobicyclo[2.2.2]octan-2-ol
CID 58819296
(1R,2R,4S)-2-fluoro-2-nitrobicyclo[2.2.1]heptane
CID 10441954
2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol
CID 58589807
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743874
2-chlorobicyclo[2.2.2]octane-2-carboxylic acid
CID 165475215
(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 101087831
1-cyclopropylbicyclo[1.1.0]butane
CID 123925920
(2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine
CID 164833704
2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile
CID 15391167
2-(methylaminomethyl)bicyclo[2.2.2]octan-2-ol
CID 130991731

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).