N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide

C12H23F3IN3 — CID 109452578

IUPACN',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C12H22F3N3.HI/c1-10(2)8-18(11(10,3)4)9(16-5)17-7-6-12(13,14)15;/h6-8H2,1-5H3,(H,16,17);1H
InChIKeyHMPHGJSUICZFLV-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.25
Rot. Bonds2

About N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide

N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109452578) has the molecular formula C12H23F3IN3 and a molecular weight of 393.24 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109452578
Molecular FormulaC12H23F3IN3
Molecular Weight393.24 g/mol
Exact Mass393.09
IUPAC NameN',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C12H22F3N3.HI/c1-10(2)8-18(11(10,3)4)9(16-5)17-7-6-12(13,14)15;/h6-8H2,1-5H3,(H,16,17);1H
InChIKeyHMPHGJSUICZFLV-UHFFFAOYSA-N
XLogP3.25
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.25
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide (CID 109452578) is N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide is C/N=C(\NCCC(F)(F)F)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is HMPHGJSUICZFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3.HI/c1-10(2)8-18(11(10,3)4)9(16-5)17-7-6-12(13,14)15;/h6-8H2,1-5H3,(H,16,17);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 393.24 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).