N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide

C9H12FNO — CID 129044140

IUPACN-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide
SMILESC=C(/C=C\C(F)=C/C)NC(C)=O
InChIInChI=1S/C9H12FNO/c1-4-9(10)6-5-7(2)11-8(3)12/h4-6H,2H2,1,3H3,(H,11,12)/b6-5-,9-4+
InChIKeyXVIRZIKDRSJFMN-CXBDEZGUSA-N
MW169.20 g/mol
LogP2.07
Rot. Bonds3

About N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide

N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide (PubChem CID 129044140) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide
PubChem CID129044140
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide
SMILESC=C(/C=C\C(F)=C/C)NC(C)=O
InChIInChI=1S/C9H12FNO/c1-4-9(10)6-5-7(2)11-8(3)12/h4-6H,2H2,1,3H3,(H,11,12)/b6-5-,9-4+
InChIKeyXVIRZIKDRSJFMN-CXBDEZGUSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-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-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide?
The IUPAC name of N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide (CID 129044140) is N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide.
What is the SMILES notation for N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide?
The canonical SMILES for N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide is C=C(/C=C\C(F)=C/C)NC(C)=O.
What is the InChIKey of N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide?
The InChIKey is XVIRZIKDRSJFMN-CXBDEZGUSA-N. The full InChI is InChI=1S/C9H12FNO/c1-4-9(10)6-5-7(2)11-8(3)12/h4-6H,2H2,1,3H3,(H,11,12)/b6-5-,9-4+.
What are the key properties of N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide?
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide has a molecular weight of 169.20 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide is sourced from PubChem (CID 129044140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).