1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone

C11H7Cl2F4NO — CID 167334534

IUPAC1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CC(F)(c2c(Cl)cccc2Cl)C1)C(F)(F)F
InChIInChI=1S/C11H7Cl2F4NO/c12-6-2-1-3-7(13)8(6)10(14)4-18(5-10)9(19)11(15,16)17/h1-3H,4-5H2
InChIKeyWUSPPQRDGFUMTD-UHFFFAOYSA-N
MW316.08 g/mol
LogP3.56
Rot. Bonds1

About 1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone

1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 167334534) has the molecular formula C11H7Cl2F4NO and a molecular weight of 316.08 g/mol. Its IUPAC name is 1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID167334534
Molecular FormulaC11H7Cl2F4NO
Molecular Weight316.08 g/mol
Exact Mass314.98
IUPAC Name1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CC(F)(c2c(Cl)cccc2Cl)C1)C(F)(F)F
InChIInChI=1S/C11H7Cl2F4NO/c12-6-2-1-3-7(13)8(6)10(14)4-18(5-10)9(19)11(15,16)17/h1-3H,4-5H2
InChIKeyWUSPPQRDGFUMTD-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.08
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone 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-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone (CID 167334534) is 1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone is O=C(N1CC(F)(c2c(Cl)cccc2Cl)C1)C(F)(F)F.
What is the InChIKey of 1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is WUSPPQRDGFUMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F4NO/c12-6-2-1-3-7(13)8(6)10(14)4-18(5-10)9(19)11(15,16)17/h1-3H,4-5H2.
What are the key properties of 1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 316.08 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dichlorophenyl)-3-fluoroazetidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 167334534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).