(1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone

C12H18F3NO — CID 146411201

IUPAC(1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone
SMILESCCC(C)C1(C(=O)N2CC(F)C2)CC(F)(F)C1
InChIInChI=1S/C12H18F3NO/c1-3-8(2)11(6-12(14,15)7-11)10(17)16-4-9(13)5-16/h8-9H,3-7H2,1-2H3
InChIKeyCDPSCZCYJKBUQB-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.63
Rot. Bonds3

About (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone

(1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone (PubChem CID 146411201) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone
PubChem CID146411201
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name(1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone
SMILESCCC(C)C1(C(=O)N2CC(F)C2)CC(F)(F)C1
InChIInChI=1S/C12H18F3NO/c1-3-8(2)11(6-12(14,15)7-11)10(17)16-4-9(13)5-16/h8-9H,3-7H2,1-2H3
InChIKeyCDPSCZCYJKBUQB-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-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 (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone (CID 146411201) is (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone is CCC(C)C1(C(=O)N2CC(F)C2)CC(F)(F)C1.
What is the InChIKey of (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is CDPSCZCYJKBUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-3-8(2)11(6-12(14,15)7-11)10(17)16-4-9(13)5-16/h8-9H,3-7H2,1-2H3.
What are the key properties of (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone?
(1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 249.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 146411201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).