2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide

C8H12F3NO — CID 22418689

IUPAC2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide
SMILESCC(C)/C=C/CNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-6(2)4-3-5-12-7(13)8(9,10)11/h3-4,6H,5H2,1-2H3,(H,12,13)/b4-3+
InChIKeyUCESSPXMGNTXMT-ONEGZZNKSA-N
MW195.18 g/mol
LogP1.88
Rot. Bonds3

About 2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide

2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide (PubChem CID 22418689) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide
PubChem CID22418689
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide
SMILESCC(C)/C=C/CNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-6(2)4-3-5-12-7(13)8(9,10)11/h3-4,6H,5H2,1-2H3,(H,12,13)/b4-3+
InChIKeyUCESSPXMGNTXMT-ONEGZZNKSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide (CID 22418689) is 2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide is CC(C)/C=C/CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide?
The InChIKey is UCESSPXMGNTXMT-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-6(2)4-3-5-12-7(13)8(9,10)11/h3-4,6H,5H2,1-2H3,(H,12,13)/b4-3+.
What are the key properties of 2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide?
2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide has a molecular weight of 195.18 g/mol, XLogP of 1.88, 3 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-[(E)-4-methylpent-2-enyl]acetamide is sourced from PubChem (CID 22418689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).