4-(trifluoromethyl)penta-2,4-dienamide

C6H6F3NO — CID 154638229

IUPAC4-(trifluoromethyl)penta-2,4-dienamide
SMILESC=C(C=CC(N)=O)C(F)(F)F
InChIInChI=1S/C6H6F3NO/c1-4(6(7,8)9)2-3-5(10)11/h2-3H,1H2,(H2,10,11)
InChIKeyORPBVUKQQQBPFS-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.15
Rot. Bonds2

About 4-(trifluoromethyl)penta-2,4-dienamide

4-(trifluoromethyl)penta-2,4-dienamide (PubChem CID 154638229) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 4-(trifluoromethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name4-(trifluoromethyl)penta-2,4-dienamide
PubChem CID154638229
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name4-(trifluoromethyl)penta-2,4-dienamide
SMILESC=C(C=CC(N)=O)C(F)(F)F
InChIInChI=1S/C6H6F3NO/c1-4(6(7,8)9)2-3-5(10)11/h2-3H,1H2,(H2,10,11)
InChIKeyORPBVUKQQQBPFS-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 4-(trifluoromethyl)penta-2,4-dienamide?
The IUPAC name of 4-(trifluoromethyl)penta-2,4-dienamide (CID 154638229) is 4-(trifluoromethyl)penta-2,4-dienamide.
What is the SMILES notation for 4-(trifluoromethyl)penta-2,4-dienamide?
The canonical SMILES for 4-(trifluoromethyl)penta-2,4-dienamide is C=C(C=CC(N)=O)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)penta-2,4-dienamide?
The InChIKey is ORPBVUKQQQBPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c1-4(6(7,8)9)2-3-5(10)11/h2-3H,1H2,(H2,10,11).
What are the key properties of 4-(trifluoromethyl)penta-2,4-dienamide?
4-(trifluoromethyl)penta-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 4-(trifluoromethyl)penta-2,4-dienamide is sourced from PubChem (CID 154638229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).