2-[3-(trifluoromethyl)cyclobutyl]guanidine

C6H10F3N3 — CID 131153750

IUPAC2-[3-(trifluoromethyl)cyclobutyl]guanidine
SMILESNC(N)=NC1CC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3N3/c7-6(8,9)3-1-4(2-3)12-5(10)11/h3-4H,1-2H2,(H4,10,11,12)
InChIKeyDRAMEMFGWHVRMI-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.60
Rot. Bonds1

About 2-[3-(trifluoromethyl)cyclobutyl]guanidine

2-[3-(trifluoromethyl)cyclobutyl]guanidine (PubChem CID 131153750) has the molecular formula C6H10F3N3 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)cyclobutyl]guanidine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)cyclobutyl]guanidine
PubChem CID131153750
Molecular FormulaC6H10F3N3
Molecular Weight181.16 g/mol
Exact Mass181.08
IUPAC Name2-[3-(trifluoromethyl)cyclobutyl]guanidine
SMILESNC(N)=NC1CC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3N3/c7-6(8,9)3-1-4(2-3)12-5(10)11/h3-4H,1-2H2,(H4,10,11,12)
InChIKeyDRAMEMFGWHVRMI-UHFFFAOYSA-N
XLogP0.60
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)cyclobutyl]guanidine?
The IUPAC name of 2-[3-(trifluoromethyl)cyclobutyl]guanidine (CID 131153750) is 2-[3-(trifluoromethyl)cyclobutyl]guanidine.
What is the SMILES notation for 2-[3-(trifluoromethyl)cyclobutyl]guanidine?
The canonical SMILES for 2-[3-(trifluoromethyl)cyclobutyl]guanidine is NC(N)=NC1CC(C(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)cyclobutyl]guanidine?
The InChIKey is DRAMEMFGWHVRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3/c7-6(8,9)3-1-4(2-3)12-5(10)11/h3-4H,1-2H2,(H4,10,11,12).
What are the key properties of 2-[3-(trifluoromethyl)cyclobutyl]guanidine?
2-[3-(trifluoromethyl)cyclobutyl]guanidine has a molecular weight of 181.16 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)cyclobutyl]guanidine is sourced from PubChem (CID 131153750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).