N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide

C9H10F3N3 — CID 61363431

IUPACN-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESC/N=C(\NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3N3/c1-14-8(15-13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,13H2,1H3,(H,14,15)
InChIKeyBMZIAXQCUGGKAN-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.55
Rot. Bonds1

About N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide

N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 61363431) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide
PubChem CID61363431
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC NameN-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESC/N=C(\NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3N3/c1-14-8(15-13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,13H2,1H3,(H,14,15)
InChIKeyBMZIAXQCUGGKAN-UHFFFAOYSA-N
XLogP1.55
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide (CID 61363431) is N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide is C/N=C(\NN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is BMZIAXQCUGGKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-14-8(15-13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,13H2,1H3,(H,14,15).
What are the key properties of N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide?
N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 217.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 61363431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).