N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide

C9H12FNO — CID 123770747

IUPACN-(3-fluorohepta-1,3,5-trien-4-yl)acetamide
SMILESC=CC(F)=C(C=CC)NC(C)=O
InChIInChI=1S/C9H12FNO/c1-4-6-9(8(10)5-2)11-7(3)12/h4-6H,2H2,1,3H3,(H,11,12)
InChIKeyVFGFMMDIYLRYGT-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.07
Rot. Bonds3

About N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide

N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide (PubChem CID 123770747) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorohepta-1,3,5-trien-4-yl)acetamide
PubChem CID123770747
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-(3-fluorohepta-1,3,5-trien-4-yl)acetamide
SMILESC=CC(F)=C(C=CC)NC(C)=O
InChIInChI=1S/C9H12FNO/c1-4-6-9(8(10)5-2)11-7(3)12/h4-6H,2H2,1,3H3,(H,11,12)
InChIKeyVFGFMMDIYLRYGT-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide?
The IUPAC name of N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide (CID 123770747) is N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide.
What is the SMILES notation for N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide?
The canonical SMILES for N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide is C=CC(F)=C(C=CC)NC(C)=O.
What is the InChIKey of N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide?
The InChIKey is VFGFMMDIYLRYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-4-6-9(8(10)5-2)11-7(3)12/h4-6H,2H2,1,3H3,(H,11,12).
What are the key properties of N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide?
N-(3-fluorohepta-1,3,5-trien-4-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-(3-fluorohepta-1,3,5-trien-4-yl)acetamide is sourced from PubChem (CID 123770747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).