1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one

C11H17F2NO — CID 126750380

IUPAC1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2CC(C1)C2(F)F
InChIInChI=1S/C11H17F2NO/c1-10(2,3)9(15)14-5-7-4-8(6-14)11(7,12)13/h7-8H,4-6H2,1-3H3
InChIKeyQVKMMSUFVKSYMJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.15
Rot. Bonds

About 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one

1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 126750380) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one
PubChem CID126750380
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2CC(C1)C2(F)F
InChIInChI=1S/C11H17F2NO/c1-10(2,3)9(15)14-5-7-4-8(6-14)11(7,12)13/h7-8H,4-6H2,1-3H3
InChIKeyQVKMMSUFVKSYMJ-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one (CID 126750380) is 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC2CC(C1)C2(F)F.
What is the InChIKey of 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is QVKMMSUFVKSYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-10(2,3)9(15)14-5-7-4-8(6-14)11(7,12)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one?
1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 217.26 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).