(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide

C11H9ClFNO — CID 11085478

IUPAC(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2c(Cl)cc(F)cc21
InChIInChI=1S/C11H9ClFNO/c12-10-5-7(13)4-9-6(3-11(14)15)1-2-8(9)10/h3-5H,1-2H2,(H2,14,15)/b6-3+
InChIKeyZZYSXQPBWFZFEK-ZZXKWVIFSA-N
MW225.65 g/mol
LogP2.29
Rot. Bonds1

About (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide

(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 11085478) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID11085478
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2c(Cl)cc(F)cc21
InChIInChI=1S/C11H9ClFNO/c12-10-5-7(13)4-9-6(3-11(14)15)1-2-8(9)10/h3-5H,1-2H2,(H2,14,15)/b6-3+
InChIKeyZZYSXQPBWFZFEK-ZZXKWVIFSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.29
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-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide (CID 11085478) is (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide is NC(=O)/C=C1\CCc2c(Cl)cc(F)cc21.
What is the InChIKey of (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is ZZYSXQPBWFZFEK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H9ClFNO/c12-10-5-7(13)4-9-6(3-11(14)15)1-2-8(9)10/h3-5H,1-2H2,(H2,14,15)/b6-3+.
What are the key properties of (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 225.65 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 11085478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).