6,6,6-trifluorohexa-2,4-dienamide

C6H6F3NO — CID 54073864

IUPAC6,6,6-trifluorohexa-2,4-dienamide
SMILESNC(=O)C=CC=CC(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)4-2-1-3-5(10)11/h1-4H,(H2,10,11)
InChIKeyJNTIANOOOLOSBO-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.15
Rot. Bonds2

About 6,6,6-trifluorohexa-2,4-dienamide

6,6,6-trifluorohexa-2,4-dienamide (PubChem CID 54073864) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 6,6,6-trifluorohexa-2,4-dienamide.

Molecular Properties

Compound Name6,6,6-trifluorohexa-2,4-dienamide
PubChem CID54073864
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name6,6,6-trifluorohexa-2,4-dienamide
SMILESNC(=O)C=CC=CC(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)4-2-1-3-5(10)11/h1-4H,(H2,10,11)
InChIKeyJNTIANOOOLOSBO-UHFFFAOYSA-N
XLogP1.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluorohexa-2,4-dienamide?
The IUPAC name of 6,6,6-trifluorohexa-2,4-dienamide (CID 54073864) is 6,6,6-trifluorohexa-2,4-dienamide.
What is the SMILES notation for 6,6,6-trifluorohexa-2,4-dienamide?
The canonical SMILES for 6,6,6-trifluorohexa-2,4-dienamide is NC(=O)C=CC=CC(F)(F)F.
What is the InChIKey of 6,6,6-trifluorohexa-2,4-dienamide?
The InChIKey is JNTIANOOOLOSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)4-2-1-3-5(10)11/h1-4H,(H2,10,11).
What are the key properties of 6,6,6-trifluorohexa-2,4-dienamide?
6,6,6-trifluorohexa-2,4-dienamide has a molecular weight of 165.11 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluorohexa-2,4-dienamide is sourced from PubChem (CID 54073864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).