N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide

C6H11F2IN2 — CID 130634608

IUPACN'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide
SMILESC/C(N)=N\C1CC(F)(F)C1.I
InChIInChI=1S/C6H10F2N2.HI/c1-4(9)10-5-2-6(7,8)3-5;/h5H,2-3H2,1H3,(H2,9,10);1H
InChIKeyPFMFDINOZCJPOZ-UHFFFAOYSA-N
MW276.07 g/mol
LogP1.78
Rot. Bonds1

About N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide

N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide (PubChem CID 130634608) has the molecular formula C6H11F2IN2 and a molecular weight of 276.07 g/mol. Its IUPAC name is N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide
PubChem CID130634608
Molecular FormulaC6H11F2IN2
Molecular Weight276.07 g/mol
Exact Mass275.99
IUPAC NameN'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide
SMILESC/C(N)=N\C1CC(F)(F)C1.I
InChIInChI=1S/C6H10F2N2.HI/c1-4(9)10-5-2-6(7,8)3-5;/h5H,2-3H2,1H3,(H2,9,10);1H
InChIKeyPFMFDINOZCJPOZ-UHFFFAOYSA-N
XLogP1.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 51.78
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'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide?
The IUPAC name of N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide (CID 130634608) is N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide.
What is the SMILES notation for N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide?
The canonical SMILES for N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide is C/C(N)=N\C1CC(F)(F)C1.I.
What is the InChIKey of N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide?
The InChIKey is PFMFDINOZCJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2.HI/c1-4(9)10-5-2-6(7,8)3-5;/h5H,2-3H2,1H3,(H2,9,10);1H.
What are the key properties of N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide?
N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide has a molecular weight of 276.07 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-difluorocyclobutyl)ethanimidamide;hydroiodide is sourced from PubChem (CID 130634608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).