N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide

C8H10FNO — CID 167498199

IUPACN-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide
SMILESC=C(F)/C=C/C=C/NC(C)=O
InChIInChI=1S/C8H10FNO/c1-7(9)5-3-4-6-10-8(2)11/h3-6H,1H2,2H3,(H,10,11)/b5-3+,6-4+
InChIKeyYIIMSSGGUFUNML-GGWOSOGESA-N
MW155.17 g/mol
LogP1.68
Rot. Bonds3

About N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide

N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide (PubChem CID 167498199) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide
PubChem CID167498199
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC NameN-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide
SMILESC=C(F)/C=C/C=C/NC(C)=O
InChIInChI=1S/C8H10FNO/c1-7(9)5-3-4-6-10-8(2)11/h3-6H,1H2,2H3,(H,10,11)/b5-3+,6-4+
InChIKeyYIIMSSGGUFUNML-GGWOSOGESA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.68
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

4-Fluoropyridin-2(1H)-one
CID 338459
(Z)-N-(prop-1-en-1-yl)acetamide
CID 5325885
(E)-N-(prop-1-en-1-yl)acetamide
CID 11804682
N-[(1E)-buta-1,3-dienyl]acetamide
CID 15836325
N-propenylacetamide
CID 53935447
N-[(1E)-2-fluorobuta-1,3-dienyl]acetamide
CID 117646394
N-[(1Z,3E,5Z)-2,4-difluorohepta-1,3,5-trienyl]acetamide
CID 141975471
N-[(2Z,4E)-4-fluorohepta-2,4,6-trienyl]acetamide
CID 143284628
N-[(1Z)-buta-1,3-dienyl]acetamide
CID 15836324
N-methyl-7-(methylamino)hepta-2,4,6-trienamide
CID 53756333
N-buta-1,3-dienylacetamide
CID 54002309
N-penta-1,3-dienylprop-2-enamide
CID 88771709

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide?
The IUPAC name of N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide (CID 167498199) is N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide.
What is the SMILES notation for N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide?
The canonical SMILES for N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide is C=C(F)/C=C/C=C/NC(C)=O.
What is the InChIKey of N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide?
The InChIKey is YIIMSSGGUFUNML-GGWOSOGESA-N. The full InChI is InChI=1S/C8H10FNO/c1-7(9)5-3-4-6-10-8(2)11/h3-6H,1H2,2H3,(H,10,11)/b5-3+,6-4+.
What are the key properties of N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide?
N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide has a molecular weight of 155.17 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide is sourced from PubChem (CID 167498199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).