2-(trifluoromethyl)benzenecarboximidamide

C8H7F3N2 — CID 3266509

IUPAC2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H7F3N2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H3,12,13)
InChIKeyUPELHUMVIWYFQA-UHFFFAOYSA-N
MW188.15 g/mol
LogP1.99
Rot. Bonds1

About 2-(trifluoromethyl)benzenecarboximidamide

2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 3266509) has the molecular formula C8H7F3N2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(trifluoromethyl)benzenecarboximidamide
PubChem CID3266509
Molecular FormulaC8H7F3N2
Molecular Weight188.15 g/mol
Exact Mass188.06
IUPAC Name2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H7F3N2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H3,12,13)
InChIKeyUPELHUMVIWYFQA-UHFFFAOYSA-N
XLogP1.99
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(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

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(trifluoromethyl)benzenecarboximidamide (CID 3266509) is 2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is UPELHUMVIWYFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H3,12,13).
What are the key properties of 2-(trifluoromethyl)benzenecarboximidamide?
2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 188.15 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 3266509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).