N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide

C10H12F3NO — CID 126607195

IUPACN-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide
SMILESC=C/C(=C\C=C\C(F)(F)F)CNC(C)=O
InChIInChI=1S/C10H12F3NO/c1-3-9(7-14-8(2)15)5-4-6-10(11,12)13/h3-6H,1,7H2,2H3,(H,14,15)/b6-4+,9-5+
InChIKeyKICOUBZIZQXVKZ-REZHQCRGSA-N
MW219.21 g/mol
LogP2.35
Rot. Bonds4

About N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide

N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide (PubChem CID 126607195) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide.

Molecular Properties

Compound NameN-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide
PubChem CID126607195
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide
SMILESC=C/C(=C\C=C\C(F)(F)F)CNC(C)=O
InChIInChI=1S/C10H12F3NO/c1-3-9(7-14-8(2)15)5-4-6-10(11,12)13/h3-6H,1,7H2,2H3,(H,14,15)/b6-4+,9-5+
InChIKeyKICOUBZIZQXVKZ-REZHQCRGSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.35
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 N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide?
The IUPAC name of N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide (CID 126607195) is N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide.
What is the SMILES notation for N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide?
The canonical SMILES for N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide is C=C/C(=C\C=C\C(F)(F)F)CNC(C)=O.
What is the InChIKey of N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide?
The InChIKey is KICOUBZIZQXVKZ-REZHQCRGSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-3-9(7-14-8(2)15)5-4-6-10(11,12)13/h3-6H,1,7H2,2H3,(H,14,15)/b6-4+,9-5+.
What are the key properties of N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide?
N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide has a molecular weight of 219.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide is sourced from PubChem (CID 126607195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).