2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide

C12H18F4N2O — CID 103734026

IUPAC2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
SMILESCN1C2CCCC1CC(NC(=O)C(F)(F)C(F)F)C2
InChIInChI=1S/C12H18F4N2O/c1-18-8-3-2-4-9(18)6-7(5-8)17-11(19)12(15,16)10(13)14/h7-10H,2-6H2,1H3,(H,17,19)
InChIKeyDNYOVZYEFVNOIB-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.02
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide

2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide (PubChem CID 103734026) has the molecular formula C12H18F4N2O and a molecular weight of 282.28 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
PubChem CID103734026
Molecular FormulaC12H18F4N2O
Molecular Weight282.28 g/mol
Exact Mass282.14
IUPAC Name2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
SMILESCN1C2CCCC1CC(NC(=O)C(F)(F)C(F)F)C2
InChIInChI=1S/C12H18F4N2O/c1-18-8-3-2-4-9(18)6-7(5-8)17-11(19)12(15,16)10(13)14/h7-10H,2-6H2,1H3,(H,17,19)
InChIKeyDNYOVZYEFVNOIB-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
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-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide (CID 103734026) is 2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide is CN1C2CCCC1CC(NC(=O)C(F)(F)C(F)F)C2.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide?
The InChIKey is DNYOVZYEFVNOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4N2O/c1-18-8-3-2-4-9(18)6-7(5-8)17-11(19)12(15,16)10(13)14/h7-10H,2-6H2,1H3,(H,17,19).
What are the key properties of 2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide?
2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide has a molecular weight of 282.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide is sourced from PubChem (CID 103734026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).