dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine

C8H10F3N4O3+ — CID 6333667

IUPACdihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(C(F)(F)F)c1.O=[N+](O)O
InChIInChI=1S/C8H8F3N3.H2NO3/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13;2-1(3)4/h1-4H,(H4,12,13,14);(H2,2,3,4)/q;+1
InChIKeyFSDOJJJZUVKQJC-UHFFFAOYSA-N
MW267.19 g/mol
LogP1.15
Rot. Bonds1

About dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine

dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine (PubChem CID 6333667) has the molecular formula C8H10F3N4O3+ and a molecular weight of 267.19 g/mol. Its IUPAC name is dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Namedihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine
PubChem CID6333667
Molecular FormulaC8H10F3N4O3+
Molecular Weight267.19 g/mol
Exact Mass267.07
IUPAC Namedihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(C(F)(F)F)c1.O=[N+](O)O
InChIInChI=1S/C8H8F3N3.H2NO3/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13;2-1(3)4/h1-4H,(H4,12,13,14);(H2,2,3,4)/q;+1
InChIKeyFSDOJJJZUVKQJC-UHFFFAOYSA-N
XLogP1.15
TPSA124.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 51.15
H-Bond Donors ≤ 54
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

2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]guanidine
CID 57120718
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
CID 58663964
dihydroxy(oxo)azanium;2-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]guanidine
CID 126960444
[(E)-prop-1-enyl] N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
CID 143118268
4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 154040816
2-(3-methoxyphenyl)guanidine;nitric acid
CID 67005874
2-(3-methylsulfonylphenyl)guanidine;nitric acid
CID 67269255
1-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]guanidine
CID 18751640
4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide
CID 143835208
bis(2-(3-methylphenyl)guanidine);sulfuric acid
CID 131842572
2-[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]guanidine;dihydrochloride
CID 70205107

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine (CID 6333667) is dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine is NC(N)=Nc1cccc(C(F)(F)F)c1.O=[N+](O)O.
What is the InChIKey of dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine?
The InChIKey is FSDOJJJZUVKQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3.H2NO3/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13;2-1(3)4/h1-4H,(H4,12,13,14);(H2,2,3,4)/q;+1.
What are the key properties of dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine?
dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine has a molecular weight of 267.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 6333667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).