cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone

C9H14FNO — CID 130890914

IUPACcyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone
SMILESCC1(F)CN(C(=O)C2CCC2)C1
InChIInChI=1S/C9H14FNO/c1-9(10)5-11(6-9)8(12)7-3-2-4-7/h7H,2-6H2,1H3
InChIKeyMMZYYXFESGXBBG-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.36
Rot. Bonds1

About cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone

cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone (PubChem CID 130890914) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone
PubChem CID130890914
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Namecyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone
SMILESCC1(F)CN(C(=O)C2CCC2)C1
InChIInChI=1S/C9H14FNO/c1-9(10)5-11(6-9)8(12)7-3-2-4-7/h7H,2-6H2,1H3
InChIKeyMMZYYXFESGXBBG-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone 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 cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone?
The IUPAC name of cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone (CID 130890914) is cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone?
The canonical SMILES for cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone is CC1(F)CN(C(=O)C2CCC2)C1.
What is the InChIKey of cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone?
The InChIKey is MMZYYXFESGXBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-9(10)5-11(6-9)8(12)7-3-2-4-7/h7H,2-6H2,1H3.
What are the key properties of cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone?
cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone has a molecular weight of 171.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 130890914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).