1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide

C7H13F3IN3O — CID 119118279

IUPAC1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(O)C(F)(F)F)NC1CC1
InChIInChI=1S/C7H12F3N3O.HI/c8-7(9,10)5(14)3-12-6(11)13-4-1-2-4;/h4-5,14H,1-3H2,(H3,11,12,13);1H
InChIKeyRCJCGAUQIRYUDJ-UHFFFAOYSA-N
MW339.10 g/mol
LogP0.59
Rot. Bonds3

About 1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide

1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide (PubChem CID 119118279) has the molecular formula C7H13F3IN3O and a molecular weight of 339.10 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
PubChem CID119118279
Molecular FormulaC7H13F3IN3O
Molecular Weight339.10 g/mol
Exact Mass339.01
IUPAC Name1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(O)C(F)(F)F)NC1CC1
InChIInChI=1S/C7H12F3N3O.HI/c8-7(9,10)5(14)3-12-6(11)13-4-1-2-4;/h4-5,14H,1-3H2,(H3,11,12,13);1H
InChIKeyRCJCGAUQIRYUDJ-UHFFFAOYSA-N
XLogP0.59
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 50.59
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide (CID 119118279) is 1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide is I.N/C(=N\CC(O)C(F)(F)F)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide?
The InChIKey is RCJCGAUQIRYUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O.HI/c8-7(9,10)5(14)3-12-6(11)13-4-1-2-4;/h4-5,14H,1-3H2,(H3,11,12,13);1H.
What are the key properties of 1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide?
1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide has a molecular weight of 339.10 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 119118279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).