N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide

C12H23F2N3 — CID 109452779

IUPACN'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\CC(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H23F2N3/c1-6-15-10(16-7-9(13)14)17-8-11(2,3)12(17,4)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyAZTBGOKGDUCCHE-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.34
Rot. Bonds3

About N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide

N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide (PubChem CID 109452779) has the molecular formula C12H23F2N3 and a molecular weight of 247.33 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
PubChem CID109452779
Molecular FormulaC12H23F2N3
Molecular Weight247.33 g/mol
Exact Mass247.19
IUPAC NameN'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\CC(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H23F2N3/c1-6-15-10(16-7-9(13)14)17-8-11(2,3)12(17,4)5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyAZTBGOKGDUCCHE-UHFFFAOYSA-N
XLogP2.34
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451729
N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide
CID 109451942
N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide
CID 109451943
N-ethyl-2,2,3,3-tetramethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]azetidine-1-carboximidamide;hydroiodide
CID 109452064
N-ethyl-2,2,3,3-tetramethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]azetidine-1-carboximidamide
CID 109452065
N'-ethyl-2,2,3,3-tetramethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide
CID 109452103
N',2,2,3,3-pentamethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452264
N',2,2,3,3-pentamethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide
CID 109452265
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
CID 109452354
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
CID 109452355
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452578
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide
CID 109452579

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The IUPAC name of N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide (CID 109452779) is N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The canonical SMILES for N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide is CCN/C(=N\CC(F)F)N1CC(C)(C)C1(C)C.
What is the InChIKey of N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The InChIKey is AZTBGOKGDUCCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N3/c1-6-15-10(16-7-9(13)14)17-8-11(2,3)12(17,4)5/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide?
N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide has a molecular weight of 247.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide is sourced from PubChem (CID 109452779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).