N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide

C9H12FNO — CID 89418444

IUPACN-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide
SMILESC=C/C=C\C=C(/CF)NC(C)=O
InChIInChI=1S/C9H12FNO/c1-3-4-5-6-9(7-10)11-8(2)12/h3-6H,1,7H2,2H3,(H,11,12)/b5-4-,9-6+
InChIKeyVAJLBHVXGXGHQZ-KMOPYBJPSA-N
MW169.20 g/mol
LogP1.72
Rot. Bonds4

About N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide

N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide (PubChem CID 89418444) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide
PubChem CID89418444
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide
SMILESC=C/C=C\C=C(/CF)NC(C)=O
InChIInChI=1S/C9H12FNO/c1-3-4-5-6-9(7-10)11-8(2)12/h3-6H,1,7H2,2H3,(H,11,12)/b5-4-,9-6+
InChIKeyVAJLBHVXGXGHQZ-KMOPYBJPSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide?
The IUPAC name of N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide (CID 89418444) is N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide.
What is the SMILES notation for N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide?
The canonical SMILES for N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide is C=C/C=C\C=C(/CF)NC(C)=O.
What is the InChIKey of N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide?
The InChIKey is VAJLBHVXGXGHQZ-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H12FNO/c1-3-4-5-6-9(7-10)11-8(2)12/h3-6H,1,7H2,2H3,(H,11,12)/b5-4-,9-6+.
What are the key properties of N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide?
N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide has a molecular weight of 169.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide is sourced from PubChem (CID 89418444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).