2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine

C8H13F3N4 — CID 77060125

IUPAC2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine
SMILESNC(N)=NN=C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N4/c9-8(10,11)5-2-1-3-6(4-5)14-15-7(12)13/h5H,1-4H2,(H4,12,13,15)
InChIKeyUXFCDEOQMBZDJJ-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.37
Rot. Bonds1

About 2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine

2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine (PubChem CID 77060125) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine
PubChem CID77060125
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine
SMILESNC(N)=NN=C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N4/c9-8(10,11)5-2-1-3-6(4-5)14-15-7(12)13/h5H,1-4H2,(H4,12,13,15)
InChIKeyUXFCDEOQMBZDJJ-UHFFFAOYSA-N
XLogP1.37
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine?
The IUPAC name of 2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine (CID 77060125) is 2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine.
What is the SMILES notation for 2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine?
The canonical SMILES for 2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine is NC(N)=NN=C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine?
The InChIKey is UXFCDEOQMBZDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c9-8(10,11)5-2-1-3-6(4-5)14-15-7(12)13/h5H,1-4H2,(H4,12,13,15).
What are the key properties of 2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine?
2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine has a molecular weight of 222.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)cyclohexylidene]amino]guanidine is sourced from PubChem (CID 77060125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).