2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide

C7H14F2IN3 — CID 130650729

IUPAC2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide
SMILESI.NC(N)=NCC(F)(F)C1CCC1
InChIInChI=1S/C7H13F2N3.HI/c8-7(9,4-12-6(10)11)5-2-1-3-5;/h5H,1-4H2,(H4,10,11,12);1H
InChIKeyNWZHIPCHLPGDSI-UHFFFAOYSA-N
MW305.11 g/mol
LogP1.31
Rot. Bonds3

About 2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide

2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide (PubChem CID 130650729) has the molecular formula C7H14F2IN3 and a molecular weight of 305.11 g/mol. Its IUPAC name is 2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide
PubChem CID130650729
Molecular FormulaC7H14F2IN3
Molecular Weight305.11 g/mol
Exact Mass305.02
IUPAC Name2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide
SMILESI.NC(N)=NCC(F)(F)C1CCC1
InChIInChI=1S/C7H13F2N3.HI/c8-7(9,4-12-6(10)11)5-2-1-3-5;/h5H,1-4H2,(H4,10,11,12);1H
InChIKeyNWZHIPCHLPGDSI-UHFFFAOYSA-N
XLogP1.31
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide (CID 130650729) is 2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide is I.NC(N)=NCC(F)(F)C1CCC1.
What is the InChIKey of 2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide?
The InChIKey is NWZHIPCHLPGDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3.HI/c8-7(9,4-12-6(10)11)5-2-1-3-5;/h5H,1-4H2,(H4,10,11,12);1H.
What are the key properties of 2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide?
2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide has a molecular weight of 305.11 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-2,2-difluoroethyl)guanidine;hydroiodide is sourced from PubChem (CID 130650729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).