1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one

C11H18FNO — CID 126750466

IUPAC1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2C(CF)C2C1
InChIInChI=1S/C11H18FNO/c1-11(2,3)10(14)13-5-8-7(4-12)9(8)6-13/h7-9H,4-6H2,1-3H3
InChIKeyFPAAPPUTHHZUNY-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.71
Rot. Bonds1

About 1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one

1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750466) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one
PubChem CID126750466
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2C(CF)C2C1
InChIInChI=1S/C11H18FNO/c1-11(2,3)10(14)13-5-8-7(4-12)9(8)6-13/h7-9H,4-6H2,1-3H3
InChIKeyFPAAPPUTHHZUNY-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one (CID 126750466) is 1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC2C(CF)C2C1.
What is the InChIKey of 1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one?
The InChIKey is FPAAPPUTHHZUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-11(2,3)10(14)13-5-8-7(4-12)9(8)6-13/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one?
1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one has a molecular weight of 199.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).