2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide

C8H10F3NO — CID 134894143

IUPAC2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide
SMILESC=CCC(C=C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-5-6(4-2)12-7(13)8(9,10)11/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyVVENNBAKOROIBY-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.80
Rot. Bonds4

About 2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide

2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide (PubChem CID 134894143) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide
PubChem CID134894143
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide
SMILESC=CCC(C=C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-5-6(4-2)12-7(13)8(9,10)11/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyVVENNBAKOROIBY-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide (CID 134894143) is 2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide is C=CCC(C=C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide?
The InChIKey is VVENNBAKOROIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-3-5-6(4-2)12-7(13)8(9,10)11/h3-4,6H,1-2,5H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide?
2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide has a molecular weight of 193.17 g/mol, XLogP of 1.80, 4 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-hexa-1,5-dien-3-ylacetamide is sourced from PubChem (CID 134894143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).