2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide

C11H16F3NO — CID 138502475

IUPAC2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide
SMILESCC/C=C(\C=C(/C)CC)NC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-4-6-9(7-8(3)5-2)15-10(16)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16)/b8-7+,9-6+
InChIKeyIUFDJEJAKLDVBN-KHHFIZIMSA-N
MW235.25 g/mol
LogP3.32
Rot. Bonds4

About 2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide

2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide (PubChem CID 138502475) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide
PubChem CID138502475
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide
SMILESCC/C=C(\C=C(/C)CC)NC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-4-6-9(7-8(3)5-2)15-10(16)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16)/b8-7+,9-6+
InChIKeyIUFDJEJAKLDVBN-KHHFIZIMSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.32
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-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide (CID 138502475) is 2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide is CC/C=C(\C=C(/C)CC)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide?
The InChIKey is IUFDJEJAKLDVBN-KHHFIZIMSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-4-6-9(7-8(3)5-2)15-10(16)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16)/b8-7+,9-6+.
What are the key properties of 2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide?
2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide has a molecular weight of 235.25 g/mol, XLogP of 3.32, 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-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide is sourced from PubChem (CID 138502475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).