fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate

C17H12F5NO2 — CID 70416320

IUPACfluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate
SMILESCCc1cccc(/C(=N/C(=O)c2ccccc2C(F)(F)F)OF)c1F
InChIInChI=1S/C17H12F5NO2/c1-2-10-6-5-8-12(14(10)18)16(25-22)23-15(24)11-7-3-4-9-13(11)17(19,20)21/h3-9H,2H2,1H3/b23-16-
InChIKeyBXWSVQOGDRJFHQ-KQWNVCNZSA-N
MW357.28 g/mol
LogP4.89
Rot. Bonds3

About fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate

fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate (PubChem CID 70416320) has the molecular formula C17H12F5NO2 and a molecular weight of 357.28 g/mol. Its IUPAC name is fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate.

Molecular Properties

Compound Namefluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate
PubChem CID70416320
Molecular FormulaC17H12F5NO2
Molecular Weight357.28 g/mol
Exact Mass357.08
IUPAC Namefluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate
SMILESCCc1cccc(/C(=N/C(=O)c2ccccc2C(F)(F)F)OF)c1F
InChIInChI=1S/C17H12F5NO2/c1-2-10-6-5-8-12(14(10)18)16(25-22)23-15(24)11-7-3-4-9-13(11)17(19,20)21/h3-9H,2H2,1H3/b23-16-
InChIKeyBXWSVQOGDRJFHQ-KQWNVCNZSA-N
XLogP4.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate 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 fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate?
The IUPAC name of fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate (CID 70416320) is fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate.
What is the SMILES notation for fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate?
The canonical SMILES for fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate is CCc1cccc(/C(=N/C(=O)c2ccccc2C(F)(F)F)OF)c1F.
What is the InChIKey of fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate?
The InChIKey is BXWSVQOGDRJFHQ-KQWNVCNZSA-N. The full InChI is InChI=1S/C17H12F5NO2/c1-2-10-6-5-8-12(14(10)18)16(25-22)23-15(24)11-7-3-4-9-13(11)17(19,20)21/h3-9H,2H2,1H3/b23-16-.
What are the key properties of fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate?
fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate has a molecular weight of 357.28 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate is sourced from PubChem (CID 70416320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).