1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one

C11H18FNO — CID 162092392

IUPAC1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2(C1)CC(C)(F)C2
InChIInChI=1S/C11H18FNO/c1-8(2)9(14)13-6-11(7-13)4-10(3,12)5-11/h8H,4-7H2,1-3H3
InChIKeyZDUFPLBTOAHWDO-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.99
Rot. Bonds1

About 1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one

1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one (PubChem CID 162092392) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one
PubChem CID162092392
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2(C1)CC(C)(F)C2
InChIInChI=1S/C11H18FNO/c1-8(2)9(14)13-6-11(7-13)4-10(3,12)5-11/h8H,4-7H2,1-3H3
InChIKeyZDUFPLBTOAHWDO-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-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-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one (CID 162092392) is 1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CC2(C1)CC(C)(F)C2.
What is the InChIKey of 1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one?
The InChIKey is ZDUFPLBTOAHWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-8(2)9(14)13-6-11(7-13)4-10(3,12)5-11/h8H,4-7H2,1-3H3.
What are the key properties of 1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one?
1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one has a molecular weight of 199.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 162092392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).