N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide

C10H12F3NO — CID 122661471

IUPACN-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
SMILESC=C/C(=C\C=C(/C)C(F)(F)F)NC(C)=O
InChIInChI=1S/C10H12F3NO/c1-4-9(14-8(3)15)6-5-7(2)10(11,12)13/h4-6H,1H2,2-3H3,(H,14,15)/b7-5+,9-6+
InChIKeyGXDZNOJCFZFORE-PDTNFJSOSA-N
MW219.21 g/mol
LogP2.70
Rot. Bonds3

About N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide

N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide (PubChem CID 122661471) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
PubChem CID122661471
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
SMILESC=C/C(=C\C=C(/C)C(F)(F)F)NC(C)=O
InChIInChI=1S/C10H12F3NO/c1-4-9(14-8(3)15)6-5-7(2)10(11,12)13/h4-6H,1H2,2-3H3,(H,14,15)/b7-5+,9-6+
InChIKeyGXDZNOJCFZFORE-PDTNFJSOSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.70
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-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide?
The IUPAC name of N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide (CID 122661471) is N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide.
What is the SMILES notation for N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide?
The canonical SMILES for N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide is C=C/C(=C\C=C(/C)C(F)(F)F)NC(C)=O.
What is the InChIKey of N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide?
The InChIKey is GXDZNOJCFZFORE-PDTNFJSOSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-4-9(14-8(3)15)6-5-7(2)10(11,12)13/h4-6H,1H2,2-3H3,(H,14,15)/b7-5+,9-6+.
What are the key properties of N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide?
N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide has a molecular weight of 219.21 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide is sourced from PubChem (CID 122661471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).