N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide

C9H12FNO — CID 143284628

IUPACN-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide
SMILESC=C/C=C(F)\C=C/CNC(C)=O
InChIInChI=1S/C9H12FNO/c1-3-5-9(10)6-4-7-11-8(2)12/h3-6H,1,7H2,2H3,(H,11,12)/b6-4-,9-5+
InChIKeyYVOWNQRGDJKXQU-QUNSIMLLSA-N
MW169.20 g/mol
LogP1.72
Rot. Bonds4

About N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide

N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide (PubChem CID 143284628) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide.

Molecular Properties

Compound NameN-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide
PubChem CID143284628
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide
SMILESC=C/C=C(F)\C=C/CNC(C)=O
InChIInChI=1S/C9H12FNO/c1-3-5-9(10)6-4-7-11-8(2)12/h3-6H,1,7H2,2H3,(H,11,12)/b6-4-,9-5+
InChIKeyYVOWNQRGDJKXQU-QUNSIMLLSA-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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Related Compounds

N-Allylacetamide
CID 69653
N-Ethyl-2E,4E-hexadienamide
CID 11434990
(2E,4E)-N-propylhexa-2,4-dienamide
CID 44443272
N-[(E)-but-2-enyl]acetamide
CID 13434395
N-2-butenylacetamide
CID 54126793
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide
CID 54239654
N-but-2-enyl-2,2,2-trifluoroacetamide
CID 57244086
N-(2-fluoroprop-2-enyl)acetamide
CID 88267816
N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide
CID 88935026
(Z)-N-ethyl-3-fluorobut-2-enamide
CID 117923957
(E)-N-ethyl-3-fluorobut-2-enamide
CID 117923958

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide?
The IUPAC name of N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide (CID 143284628) is N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide.
What is the SMILES notation for N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide?
The canonical SMILES for N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide is C=C/C=C(F)\C=C/CNC(C)=O.
What is the InChIKey of N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide?
The InChIKey is YVOWNQRGDJKXQU-QUNSIMLLSA-N. The full InChI is InChI=1S/C9H12FNO/c1-3-5-9(10)6-4-7-11-8(2)12/h3-6H,1,7H2,2H3,(H,11,12)/b6-4-,9-5+.
What are the key properties of N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide?
N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]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-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide is sourced from PubChem (CID 143284628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).