2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one

C11H16F4N2O — CID 103734138

IUPAC2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
SMILESCN1C2CCC1CN(C(=O)C(F)(F)C(F)F)CC2
InChIInChI=1S/C11H16F4N2O/c1-16-7-2-3-8(16)6-17(5-4-7)10(18)11(14,15)9(12)13/h7-9H,2-6H2,1H3
InChIKeyLOYQHALFNWUFPA-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.58
Rot. Bonds2

About 2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one

2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one (PubChem CID 103734138) has the molecular formula C11H16F4N2O and a molecular weight of 268.25 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
PubChem CID103734138
Molecular FormulaC11H16F4N2O
Molecular Weight268.25 g/mol
Exact Mass268.12
IUPAC Name2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
SMILESCN1C2CCC1CN(C(=O)C(F)(F)C(F)F)CC2
InChIInChI=1S/C11H16F4N2O/c1-16-7-2-3-8(16)6-17(5-4-7)10(18)11(14,15)9(12)13/h7-9H,2-6H2,1H3
InChIKeyLOYQHALFNWUFPA-UHFFFAOYSA-N
XLogP1.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one (CID 103734138) is 2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one is CN1C2CCC1CN(C(=O)C(F)(F)C(F)F)CC2.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
The InChIKey is LOYQHALFNWUFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O/c1-16-7-2-3-8(16)6-17(5-4-7)10(18)11(14,15)9(12)13/h7-9H,2-6H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one has a molecular weight of 268.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one is sourced from PubChem (CID 103734138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).