2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine

C15H12F4N4 — CID 29893

IUPAC2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
SMILESNC(N)=NN=C(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F4N4/c16-12-7-3-10(4-8-12)13(22-23-14(20)21)9-1-5-11(6-2-9)15(17,18)19/h1-8H,(H4,20,21,23)
InChIKeyFBGUSGCVXYLMEC-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.87
Rot. Bonds3

About 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine

2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine (PubChem CID 29893) has the molecular formula C15H12F4N4 and a molecular weight of 324.28 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
PubChem CID29893
Molecular FormulaC15H12F4N4
Molecular Weight324.28 g/mol
Exact Mass324.10
IUPAC Name2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
SMILESNC(N)=NN=C(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F4N4/c16-12-7-3-10(4-8-12)13(22-23-14(20)21)9-1-5-11(6-2-9)15(17,18)19/h1-8H,(H4,20,21,23)
InChIKeyFBGUSGCVXYLMEC-UHFFFAOYSA-N
XLogP2.87
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 52.87
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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Related Compounds

Diphenylethanedione dihydrazone
CID 5356523
2-[1-(4-Methylphenyl)ethylideneamino]guanidine
CID 2831841
2-[(E)-1-[4-[2-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethyl]phenyl]ethylideneamino]guanidine;dihydrochloride
CID 134153648
2-(Diphenylmethylene)hydrazinecarboximidamide
CID 249134
2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine
CID 52941533
2-[(E)-1-[4-[[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]methyl]phenyl]ethylideneamino]guanidine;dihydrochloride
CID 134135092
Guanidine, ((p-fluoro-alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzylidene)amino)-
CID 5475188
Benzophenone guanylhydrazone, 4-fluoro-4'-trifluoromethyl-, hydrochloride
CID 9570354
1,2-Diphenylethane-1,2-dione dihydrazone
CID 96211
2-[(Z)-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 5360604
2-[(Z)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 9561739
2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52943886

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine?
The IUPAC name of 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine (CID 29893) is 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine.
What is the SMILES notation for 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine?
The canonical SMILES for 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine is NC(N)=NN=C(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine?
The InChIKey is FBGUSGCVXYLMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4/c16-12-7-3-10(4-8-12)13(22-23-14(20)21)9-1-5-11(6-2-9)15(17,18)19/h1-8H,(H4,20,21,23).
What are the key properties of 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine?
2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine has a molecular weight of 324.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine is sourced from PubChem (CID 29893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).