2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane

C9H13F4N — CID 176557345

IUPAC2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane
SMILESCN1CC2CCC1CC(F)(F)C2(F)F
InChIInChI=1S/C9H13F4N/c1-14-5-6-2-3-7(14)4-8(10,11)9(6,12)13/h6-7H,2-5H2,1H3
InChIKeyUPLBTSPJYUVQML-UHFFFAOYSA-N
MW211.20 g/mol
LogP2.37
Rot. Bonds

About 2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane

2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane (PubChem CID 176557345) has the molecular formula C9H13F4N and a molecular weight of 211.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane
PubChem CID176557345
Molecular FormulaC9H13F4N
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC Name2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane
SMILESCN1CC2CCC1CC(F)(F)C2(F)F
InChIInChI=1S/C9H13F4N/c1-14-5-6-2-3-7(14)4-8(10,11)9(6,12)13/h6-7H,2-5H2,1H3
InChIKeyUPLBTSPJYUVQML-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane?
The IUPAC name of 2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane (CID 176557345) is 2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane?
The canonical SMILES for 2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane is CN1CC2CCC1CC(F)(F)C2(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane?
The InChIKey is UPLBTSPJYUVQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N/c1-14-5-6-2-3-7(14)4-8(10,11)9(6,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane?
2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane has a molecular weight of 211.20 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-6-methyl-6-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 176557345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).