1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide

C11H22F3IN4 — CID 111085530

IUPAC1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
SMILESCN(C)C(=NC1CCN(CC(F)(F)F)C1)N(C)C.I
InChIInChI=1S/C11H21F3N4.HI/c1-16(2)10(17(3)4)15-9-5-6-18(7-9)8-11(12,13)14;/h9H,5-8H2,1-4H3;1H
InChIKeyKJGWJZUFNWTPBO-UHFFFAOYSA-N
MW394.22 g/mol
LogP1.72
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide

1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide (PubChem CID 111085530) has the molecular formula C11H22F3IN4 and a molecular weight of 394.22 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
PubChem CID111085530
Molecular FormulaC11H22F3IN4
Molecular Weight394.22 g/mol
Exact Mass394.08
IUPAC Name1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
SMILESCN(C)C(=NC1CCN(CC(F)(F)F)C1)N(C)C.I
InChIInChI=1S/C11H21F3N4.HI/c1-16(2)10(17(3)4)15-9-5-6-18(7-9)8-11(12,13)14;/h9H,5-8H2,1-4H3;1H
InChIKeyKJGWJZUFNWTPBO-UHFFFAOYSA-N
XLogP1.72
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
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'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111085552
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
1-butyl-1,2-dimethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111158542
N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
CID 122156751
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 84657695

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide (CID 111085530) is 1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide is CN(C)C(=NC1CCN(CC(F)(F)F)C1)N(C)C.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
The InChIKey is KJGWJZUFNWTPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4.HI/c1-16(2)10(17(3)4)15-9-5-6-18(7-9)8-11(12,13)14;/h9H,5-8H2,1-4H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide has a molecular weight of 394.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide is sourced from PubChem (CID 111085530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).