N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C11H21F2N3 — CID 109452943

IUPACN-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCC(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C11H21F2N3/c1-10(2)7-16(11(10,3)4)9(14-5)15-6-8(12)13/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyVRRVDCCWUMSCRN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.95
Rot. Bonds2

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

N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109452943) has the molecular formula C11H21F2N3 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109452943
Molecular FormulaC11H21F2N3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC NameN-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCC(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C11H21F2N3/c1-10(2)7-16(11(10,3)4)9(14-5)15-6-8(12)13/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyVRRVDCCWUMSCRN-UHFFFAOYSA-N
XLogP1.95
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.95
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'}

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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',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109452943) is N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NCC(F)F)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is VRRVDCCWUMSCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3/c1-10(2)7-16(11(10,3)4)9(14-5)15-6-8(12)13/h8H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.95, 2 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',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109452943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).