N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide

C9H11F2NO — CID 123945729

IUPACN-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide
SMILESC=CC(F)=C(NC(C)=O)C(F)=CC
InChIInChI=1S/C9H11F2NO/c1-4-7(10)9(8(11)5-2)12-6(3)13/h4-5H,1H2,2-3H3,(H,12,13)
InChIKeySIMIQZLGEOVDAD-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.36
Rot. Bonds3

About N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide

N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide (PubChem CID 123945729) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide
PubChem CID123945729
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC NameN-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide
SMILESC=CC(F)=C(NC(C)=O)C(F)=CC
InChIInChI=1S/C9H11F2NO/c1-4-7(10)9(8(11)5-2)12-6(3)13/h4-5H,1H2,2-3H3,(H,12,13)
InChIKeySIMIQZLGEOVDAD-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.36
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-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide?
The IUPAC name of N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide (CID 123945729) is N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide.
What is the SMILES notation for N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide?
The canonical SMILES for N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide is C=CC(F)=C(NC(C)=O)C(F)=CC.
What is the InChIKey of N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide?
The InChIKey is SIMIQZLGEOVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-4-7(10)9(8(11)5-2)12-6(3)13/h4-5H,1H2,2-3H3,(H,12,13).
What are the key properties of N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide?
N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide has a molecular weight of 187.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide is sourced from PubChem (CID 123945729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).