4-amino-3-(trifluoromethyl)benzenecarboximidamide

C8H8F3N3 — CID 130743439

IUPAC4-amino-3-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3H,12H2,(H3,13,14)
InChIKeyJAYYVPLHIJPCDE-UHFFFAOYSA-N
MW203.17 g/mol
LogP1.57
Rot. Bonds1

About 4-amino-3-(trifluoromethyl)benzenecarboximidamide

4-amino-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 130743439) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 4-amino-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-amino-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID130743439
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name4-amino-3-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3H,12H2,(H3,13,14)
InChIKeyJAYYVPLHIJPCDE-UHFFFAOYSA-N
XLogP1.57
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-amino-3-(trifluoromethyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 106705056
4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide
CID 102026982
4-[2-(4-ethylphenyl)ethynyl]-3-(trifluoromethyl)benzenecarboximidamide
CID 131981605
4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468119
4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 115468146
3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 2730243
4-amino-3-carbamimidoylbenzoic acid
CID 155053742
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
2-(trifluoromethyl)pyridine-4-carboximidamide
CID 119009176
4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide
CID 34178690
4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 161352173

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-amino-3-(trifluoromethyl)benzenecarboximidamide (CID 130743439) is 4-amino-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-amino-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-amino-3-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is JAYYVPLHIJPCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3H,12H2,(H3,13,14).
What are the key properties of 4-amino-3-(trifluoromethyl)benzenecarboximidamide?
4-amino-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 203.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 130743439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).