1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one

C10H18FNO — CID 130296498

IUPAC1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one
SMILESCCCC(C)(C)C(=O)N1CC(F)C1
InChIInChI=1S/C10H18FNO/c1-4-5-10(2,3)9(13)12-6-8(11)7-12/h8H,4-7H2,1-3H3
InChIKeyBFIGOZZNVNRJIA-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.99
Rot. Bonds3

About 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one

1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one (PubChem CID 130296498) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one.

Molecular Properties

Compound Name1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one
PubChem CID130296498
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one
SMILESCCCC(C)(C)C(=O)N1CC(F)C1
InChIInChI=1S/C10H18FNO/c1-4-5-10(2,3)9(13)12-6-8(11)7-12/h8H,4-7H2,1-3H3
InChIKeyBFIGOZZNVNRJIA-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-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-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one?
The IUPAC name of 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one (CID 130296498) is 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one.
What is the SMILES notation for 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one?
The canonical SMILES for 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one is CCCC(C)(C)C(=O)N1CC(F)C1.
What is the InChIKey of 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one?
The InChIKey is BFIGOZZNVNRJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-5-10(2,3)9(13)12-6-8(11)7-12/h8H,4-7H2,1-3H3.
What are the key properties of 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one?
1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one has a molecular weight of 187.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one is sourced from PubChem (CID 130296498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).