N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide

C8H10FNO — CID 173387193

IUPACN-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide
SMILESCC(=O)NC1(F)C=CCC=C1
InChIInChI=1S/C8H10FNO/c1-7(11)10-8(9)5-3-2-4-6-8/h3-6H,2H2,1H3,(H,10,11)
InChIKeyXUSSQYICWKCWLC-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.30
Rot. Bonds1

About N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide

N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide (PubChem CID 173387193) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide
PubChem CID173387193
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC NameN-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide
SMILESCC(=O)NC1(F)C=CCC=C1
InChIInChI=1S/C8H10FNO/c1-7(11)10-8(9)5-3-2-4-6-8/h3-6H,2H2,1H3,(H,10,11)
InChIKeyXUSSQYICWKCWLC-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(1-fluorocyclohexa-2,5-dien-1-yl)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 N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide?
The IUPAC name of N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide (CID 173387193) is N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide?
The canonical SMILES for N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide is CC(=O)NC1(F)C=CCC=C1.
What is the InChIKey of N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide?
The InChIKey is XUSSQYICWKCWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-7(11)10-8(9)5-3-2-4-6-8/h3-6H,2H2,1H3,(H,10,11).
What are the key properties of N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide?
N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide has a molecular weight of 155.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide is sourced from PubChem (CID 173387193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).