2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine

C10H12F3N5 — CID 131998211

IUPAC2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine
SMILESC/C(=N\N/C(N)=N/N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N5/c1-6(17-18-9(14)16-15)7-2-4-8(5-3-7)10(11,12)13/h2-5H,15H2,1H3,(H3,14,16,18)/b17-6+
InChIKeyRSNMILSICDZPBK-UBKPWBPPSA-N
MW259.24 g/mol
LogP1.21
Rot. Bonds2

About 2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine

2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine (PubChem CID 131998211) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine
PubChem CID131998211
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine
SMILESC/C(=N\N/C(N)=N/N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N5/c1-6(17-18-9(14)16-15)7-2-4-8(5-3-7)10(11,12)13/h2-5H,15H2,1H3,(H3,14,16,18)/b17-6+
InChIKeyRSNMILSICDZPBK-UBKPWBPPSA-N
XLogP1.21
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine?
The IUPAC name of 2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine (CID 131998211) is 2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine.
What is the SMILES notation for 2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine?
The canonical SMILES for 2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine is C/C(=N\N/C(N)=N/N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine?
The InChIKey is RSNMILSICDZPBK-UBKPWBPPSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-6(17-18-9(14)16-15)7-2-4-8(5-3-7)10(11,12)13/h2-5H,15H2,1H3,(H3,14,16,18)/b17-6+.
What are the key properties of 2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine?
2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine has a molecular weight of 259.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine is sourced from PubChem (CID 131998211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).