N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide

C16H21F3IN3O — CID 120671720

IUPACN'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CC(c2cccc(C(F)(F)F)c2)C1)N1CCOCC1
InChIInChI=1S/C16H20F3N3O.HI/c17-16(18,19)13-3-1-2-11(8-13)12-9-14(10-12)21-15(20)22-4-6-23-7-5-22;/h1-3,8,12,14H,4-7,9-10H2,(H2,20,21);1H
InChIKeyOZJNPJJUKNTMCL-UHFFFAOYSA-N
MW455.26 g/mol
LogP3.22
Rot. Bonds2

About N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide

N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120671720) has the molecular formula C16H21F3IN3O and a molecular weight of 455.26 g/mol. Its IUPAC name is N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120671720
Molecular FormulaC16H21F3IN3O
Molecular Weight455.26 g/mol
Exact Mass455.07
IUPAC NameN'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CC(c2cccc(C(F)(F)F)c2)C1)N1CCOCC1
InChIInChI=1S/C16H20F3N3O.HI/c17-16(18,19)13-3-1-2-11(8-13)12-9-14(10-12)21-15(20)22-4-6-23-7-5-22;/h1-3,8,12,14H,4-7,9-10H2,(H2,20,21);1H
InChIKeyOZJNPJJUKNTMCL-UHFFFAOYSA-N
XLogP3.22
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120679856
N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120663261
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120762832
N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120671570
1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine
CID 122082577
N'-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]thiomorpholine-4-carboximidamide
CID 120671536
N'-[2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide;hydroiodide
CID 119120458
N'-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111080854
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
N'-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine-4-carboximidamide
CID 111082529
N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
CID 118422568
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide (CID 120671720) is N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\C1CC(c2cccc(C(F)(F)F)c2)C1)N1CCOCC1.
What is the InChIKey of N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is OZJNPJJUKNTMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O.HI/c17-16(18,19)13-3-1-2-11(8-13)12-9-14(10-12)21-15(20)22-4-6-23-7-5-22;/h1-3,8,12,14H,4-7,9-10H2,(H2,20,21);1H.
What are the key properties of N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 455.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120671720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).