2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine

C8H13F3N4 — CID 65211714

IUPAC2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine
SMILESNC(N)=NN=C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N4/c9-8(10,11)5-1-3-6(4-2-5)14-15-7(12)13/h5H,1-4H2,(H4,12,13,15)/b14-6-
InChIKeyLFICBAXZTDWXFJ-NSIKDUERSA-N
MW222.21 g/mol
LogP1.37
Rot. Bonds1

About 2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine

2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine (PubChem CID 65211714) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine
PubChem CID65211714
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine
SMILESNC(N)=NN=C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N4/c9-8(10,11)5-1-3-6(4-2-5)14-15-7(12)13/h5H,1-4H2,(H4,12,13,15)/b14-6-
InChIKeyLFICBAXZTDWXFJ-NSIKDUERSA-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-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine?
The IUPAC name of 2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine (CID 65211714) is 2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine?
The canonical SMILES for 2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine is NC(N)=NN=C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine?
The InChIKey is LFICBAXZTDWXFJ-NSIKDUERSA-N. The full InChI is InChI=1S/C8H13F3N4/c9-8(10,11)5-1-3-6(4-2-5)14-15-7(12)13/h5H,1-4H2,(H4,12,13,15)/b14-6-.
What are the key properties of 2-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine?
2-[[4-(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-[[4-(trifluoromethyl)cyclohexylidene]amino]guanidine is sourced from PubChem (CID 65211714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).