(2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide

C11H9F2NO — CID 10889139

IUPAC(2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2cc(F)cc(F)c21
InChIInChI=1S/C11H9F2NO/c12-8-3-6-1-2-7(4-10(14)15)11(6)9(13)5-8/h3-5H,1-2H2,(H2,14,15)/b7-4+
InChIKeyNMMDWTNBGZQWOW-QPJJXVBHSA-N
MW209.20 g/mol
LogP1.78
Rot. Bonds1

About (2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide

(2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10889139) has the molecular formula C11H9F2NO and a molecular weight of 209.20 g/mol. Its IUPAC name is (2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10889139
Molecular FormulaC11H9F2NO
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2cc(F)cc(F)c21
InChIInChI=1S/C11H9F2NO/c12-8-3-6-1-2-7(4-10(14)15)11(6)9(13)5-8/h3-5H,1-2H2,(H2,14,15)/b7-4+
InChIKeyNMMDWTNBGZQWOW-QPJJXVBHSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide (CID 10889139) is (2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide is NC(=O)/C=C1\CCc2cc(F)cc(F)c21.
What is the InChIKey of (2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is NMMDWTNBGZQWOW-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H9F2NO/c12-8-3-6-1-2-7(4-10(14)15)11(6)9(13)5-8/h3-5H,1-2H2,(H2,14,15)/b7-4+.
What are the key properties of (2E)-2-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-2-(5,7-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-(5,7-difluoro-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10889139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).