2-(3,3-difluorocyclobutyl)guanidine;hydroiodide

C5H10F2IN3 — CID 130903113

IUPAC2-(3,3-difluorocyclobutyl)guanidine;hydroiodide
SMILESI.NC(N)=NC1CC(F)(F)C1
InChIInChI=1S/C5H9F2N3.HI/c6-5(7)1-3(2-5)10-4(8)9;/h3H,1-2H2,(H4,8,9,10);1H
InChIKeyPZTZOLGMUDZOLU-UHFFFAOYSA-N
MW277.06 g/mol
LogP0.68
Rot. Bonds1

About 2-(3,3-difluorocyclobutyl)guanidine;hydroiodide

2-(3,3-difluorocyclobutyl)guanidine;hydroiodide (PubChem CID 130903113) has the molecular formula C5H10F2IN3 and a molecular weight of 277.06 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)guanidine;hydroiodide
PubChem CID130903113
Molecular FormulaC5H10F2IN3
Molecular Weight277.06 g/mol
Exact Mass276.99
IUPAC Name2-(3,3-difluorocyclobutyl)guanidine;hydroiodide
SMILESI.NC(N)=NC1CC(F)(F)C1
InChIInChI=1S/C5H9F2N3.HI/c6-5(7)1-3(2-5)10-4(8)9;/h3H,1-2H2,(H4,8,9,10);1H
InChIKeyPZTZOLGMUDZOLU-UHFFFAOYSA-N
XLogP0.68
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 50.68
H-Bond Donors ≤ 52
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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Related Compounds

1-(Diaminomethylidene)-2-(3,3-difluorocyclobutyl)guanidine
CID 117798736
2-(2-Fluorocyclobutyl)guanidine
CID 138545429
2-(3-Fluorocyclobutyl)guanidine
CID 138545433
N'-(3,3-difluorocyclobutyl)methanimidamide
CID 152410087
N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide
CID 130634608
2-(3,3-Difluorocyclobutyl)guanidine
CID 130903114
2-[3-(Trifluoromethyl)cyclobutyl]guanidine;hydroiodide
CID 131153749
2-[3-(Trifluoromethyl)cyclobutyl]guanidine
CID 131153750

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)guanidine;hydroiodide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)guanidine;hydroiodide (CID 130903113) is 2-(3,3-difluorocyclobutyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)guanidine;hydroiodide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)guanidine;hydroiodide is I.NC(N)=NC1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)guanidine;hydroiodide?
The InChIKey is PZTZOLGMUDZOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N3.HI/c6-5(7)1-3(2-5)10-4(8)9;/h3H,1-2H2,(H4,8,9,10);1H.
What are the key properties of 2-(3,3-difluorocyclobutyl)guanidine;hydroiodide?
2-(3,3-difluorocyclobutyl)guanidine;hydroiodide has a molecular weight of 277.06 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)guanidine;hydroiodide is sourced from PubChem (CID 130903113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).