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'}

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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).