N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide

C9H13F2NO — CID 143094146

IUPACN-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide
SMILESCC/C=C(F)\C(F)=C/CNC(C)=O
InChIInChI=1S/C9H13F2NO/c1-3-4-8(10)9(11)5-6-12-7(2)13/h4-5H,3,6H2,1-2H3,(H,12,13)/b8-4+,9-5+
InChIKeyYALZXQPGUAIAHH-KBXRYBNXSA-N
MW189.20 g/mol
LogP2.24
Rot. Bonds4

About N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide

N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide (PubChem CID 143094146) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide.

Molecular Properties

Compound NameN-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide
PubChem CID143094146
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC NameN-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide
SMILESCC/C=C(F)\C(F)=C/CNC(C)=O
InChIInChI=1S/C9H13F2NO/c1-3-4-8(10)9(11)5-6-12-7(2)13/h4-5H,3,6H2,1-2H3,(H,12,13)/b8-4+,9-5+
InChIKeyYALZXQPGUAIAHH-KBXRYBNXSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 52.24
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-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide?
The IUPAC name of N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide (CID 143094146) is N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide.
What is the SMILES notation for N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide?
The canonical SMILES for N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide is CC/C=C(F)\C(F)=C/CNC(C)=O.
What is the InChIKey of N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide?
The InChIKey is YALZXQPGUAIAHH-KBXRYBNXSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-3-4-8(10)9(11)5-6-12-7(2)13/h4-5H,3,6H2,1-2H3,(H,12,13)/b8-4+,9-5+.
What are the key properties of N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide?
N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide has a molecular weight of 189.20 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide is sourced from PubChem (CID 143094146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).