(2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide

C11H9F2NO — CID 10910773

IUPAC(2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2c1ccc(F)c2F
InChIInChI=1S/C11H9F2NO/c12-9-4-3-7-6(5-10(14)15)1-2-8(7)11(9)13/h3-5H,1-2H2,(H2,14,15)/b6-5+
InChIKeyYMKGZCLVAFLLMD-AATRIKPKSA-N
MW209.20 g/mol
LogP1.78
Rot. Bonds1

About (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide

(2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10910773) has the molecular formula C11H9F2NO and a molecular weight of 209.20 g/mol. Its IUPAC name is (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10910773
Molecular FormulaC11H9F2NO
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2c1ccc(F)c2F
InChIInChI=1S/C11H9F2NO/c12-9-4-3-7-6(5-10(14)15)1-2-8(7)11(9)13/h3-5H,1-2H2,(H2,14,15)/b6-5+
InChIKeyYMKGZCLVAFLLMD-AATRIKPKSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide 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 (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide (CID 10910773) is (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide is NC(=O)/C=C1\CCc2c1ccc(F)c2F.
What is the InChIKey of (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is YMKGZCLVAFLLMD-AATRIKPKSA-N. The full InChI is InChI=1S/C11H9F2NO/c12-9-4-3-7-6(5-10(14)15)1-2-8(7)11(9)13/h3-5H,1-2H2,(H2,14,15)/b6-5+.
What are the key properties of (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 209.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10910773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).