3,3-difluoro-8,8-dimethylcyclononyne

C11H16F2 — CID 123471391

IUPAC3,3-difluoro-8,8-dimethylcyclononyne
SMILESCC1(C)CC#CC(F)(F)CCCC1
InChIInChI=1S/C11H16F2/c1-10(2)6-3-4-8-11(12,13)9-5-7-10/h3-4,6-8H2,1-2H3
InChIKeySFOUNEATIQKZEU-UHFFFAOYSA-N
MW186.24 g/mol
LogP3.62
Rot. Bonds

About 3,3-difluoro-8,8-dimethylcyclononyne

3,3-difluoro-8,8-dimethylcyclononyne (PubChem CID 123471391) has the molecular formula C11H16F2 and a molecular weight of 186.24 g/mol. Its IUPAC name is 3,3-difluoro-8,8-dimethylcyclononyne.

Molecular Properties

Compound Name3,3-difluoro-8,8-dimethylcyclononyne
PubChem CID123471391
Molecular FormulaC11H16F2
Molecular Weight186.24 g/mol
Exact Mass186.12
IUPAC Name3,3-difluoro-8,8-dimethylcyclononyne
SMILESCC1(C)CC#CC(F)(F)CCCC1
InChIInChI=1S/C11H16F2/c1-10(2)6-3-4-8-11(12,13)9-5-7-10/h3-4,6-8H2,1-2H3
InChIKeySFOUNEATIQKZEU-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-8,8-dimethylcyclononyne?
The IUPAC name of 3,3-difluoro-8,8-dimethylcyclononyne (CID 123471391) is 3,3-difluoro-8,8-dimethylcyclononyne.
What is the SMILES notation for 3,3-difluoro-8,8-dimethylcyclononyne?
The canonical SMILES for 3,3-difluoro-8,8-dimethylcyclononyne is CC1(C)CC#CC(F)(F)CCCC1.
What is the InChIKey of 3,3-difluoro-8,8-dimethylcyclononyne?
The InChIKey is SFOUNEATIQKZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2/c1-10(2)6-3-4-8-11(12,13)9-5-7-10/h3-4,6-8H2,1-2H3.
What are the key properties of 3,3-difluoro-8,8-dimethylcyclononyne?
3,3-difluoro-8,8-dimethylcyclononyne has a molecular weight of 186.24 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-8,8-dimethylcyclononyne is sourced from PubChem (CID 123471391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).