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

C8H10FNO — CID 122651083

IUPACN-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
SMILESC=C/C=C(/NC(C)=O)C(=C)F
InChIInChI=1S/C8H10FNO/c1-4-5-8(6(2)9)10-7(3)11/h4-5H,1-2H2,3H3,(H,10,11)/b8-5+
InChIKeyRXBIRTZNHCUOSI-VMPITWQZSA-N
MW155.17 g/mol
LogP1.68
Rot. Bonds3

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

N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide (PubChem CID 122651083) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
PubChem CID122651083
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC NameN-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
SMILESC=C/C=C(/NC(C)=O)C(=C)F
InChIInChI=1S/C8H10FNO/c1-4-5-8(6(2)9)10-7(3)11/h4-5H,1-2H2,3H3,(H,10,11)/b8-5+
InChIKeyRXBIRTZNHCUOSI-VMPITWQZSA-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'}

Analyze N-[(3E)-2-fluorohexa-1,3,5-trien-3-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

Related Compounds

N-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 44386440
2(1H)-Pyridinone, 6-(fluoromethyl)-
CID 10464359
4-Fluoro-6-methylpyridin-2-OL
CID 53408005
2,2,2-trifluoro-N-phenylacetamide;yttrium
CID 59101643
N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 89363295
N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide
CID 89418444
2,2,2-trifluoro-N-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 90127126
N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
CID 122661471
2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide
CID 123259858
N-(4,5-difluorohexa-1,3,5-trien-2-yl)acetamide
CID 123461324
N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide
CID 123529240
N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide
CID 123770747

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide?
The IUPAC name of N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide (CID 122651083) is N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide.
What is the SMILES notation for N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide?
The canonical SMILES for N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide is C=C/C=C(/NC(C)=O)C(=C)F.
What is the InChIKey of N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide?
The InChIKey is RXBIRTZNHCUOSI-VMPITWQZSA-N. The full InChI is InChI=1S/C8H10FNO/c1-4-5-8(6(2)9)10-7(3)11/h4-5H,1-2H2,3H3,(H,10,11)/b8-5+.
What are the key properties of N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide?
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]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-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide is sourced from PubChem (CID 122651083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).