2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide

C7H8F3NO — CID 123259858

IUPAC2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide
SMILESC=CC(=CC)NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-3-5(4-2)11-6(12)7(8,9)10/h3-4H,1H2,2H3,(H,11,12)
InChIKeyRVFKOMIYBFPFKH-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.75
Rot. Bonds2

About 2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide

2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide (PubChem CID 123259858) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide
PubChem CID123259858
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide
SMILESC=CC(=CC)NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-3-5(4-2)11-6(12)7(8,9)10/h3-4H,1H2,2H3,(H,11,12)
InChIKeyRVFKOMIYBFPFKH-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.75
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 2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide (CID 123259858) is 2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide is C=CC(=CC)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide?
The InChIKey is RVFKOMIYBFPFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-3-5(4-2)11-6(12)7(8,9)10/h3-4H,1H2,2H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide?
2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide has a molecular weight of 179.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-penta-1,3-dien-3-ylacetamide is sourced from PubChem (CID 123259858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).