2,2,2-trifluoro-N-pent-4-en-2-ylacetamide

C7H10F3NO — CID 18970201

IUPAC2,2,2-trifluoro-N-pent-4-en-2-ylacetamide
SMILESC=CCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-5(2)11-6(12)7(8,9)10/h3,5H,1,4H2,2H3,(H,11,12)
InChIKeyYMQYSLRQTUEGIQ-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.63
Rot. Bonds3

About 2,2,2-trifluoro-N-pent-4-en-2-ylacetamide

2,2,2-trifluoro-N-pent-4-en-2-ylacetamide (PubChem CID 18970201) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-pent-4-en-2-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-pent-4-en-2-ylacetamide
PubChem CID18970201
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2,2-trifluoro-N-pent-4-en-2-ylacetamide
SMILESC=CCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-5(2)11-6(12)7(8,9)10/h3,5H,1,4H2,2H3,(H,11,12)
InChIKeyYMQYSLRQTUEGIQ-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.63
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-pent-4-en-2-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-pent-4-en-2-ylacetamide (CID 18970201) is 2,2,2-trifluoro-N-pent-4-en-2-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-pent-4-en-2-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-pent-4-en-2-ylacetamide is C=CCC(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-pent-4-en-2-ylacetamide?
The InChIKey is YMQYSLRQTUEGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-3-4-5(2)11-6(12)7(8,9)10/h3,5H,1,4H2,2H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-pent-4-en-2-ylacetamide?
2,2,2-trifluoro-N-pent-4-en-2-ylacetamide has a molecular weight of 181.16 g/mol, XLogP of 1.63, 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-pent-4-en-2-ylacetamide is sourced from PubChem (CID 18970201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).