2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide

C7H6F3NO — CID 156685917

IUPAC2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide
SMILESCC#C/C=C\NC(=O)C(F)(F)F
InChIInChI=1S/C7H6F3NO/c1-2-3-4-5-11-6(12)7(8,9)10/h4-5H,1H3,(H,11,12)/b5-4-
InChIKeyPDGNNXOBLLZCDI-PLNGDYQASA-N
MW177.12 g/mol
LogP1.20
Rot. Bonds1

About 2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide

2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide (PubChem CID 156685917) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide
PubChem CID156685917
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide
SMILESCC#C/C=C\NC(=O)C(F)(F)F
InChIInChI=1S/C7H6F3NO/c1-2-3-4-5-11-6(12)7(8,9)10/h4-5H,1H3,(H,11,12)/b5-4-
InChIKeyPDGNNXOBLLZCDI-PLNGDYQASA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide (CID 156685917) is 2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide is CC#C/C=C\NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide?
The InChIKey is PDGNNXOBLLZCDI-PLNGDYQASA-N. The full InChI is InChI=1S/C7H6F3NO/c1-2-3-4-5-11-6(12)7(8,9)10/h4-5H,1H3,(H,11,12)/b5-4-.
What are the key properties of 2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide?
2,2,2-trifluoro-N-[(Z)-pent-1-en-3-ynyl]acetamide has a molecular weight of 177.12 g/mol, XLogP of 1.20, 1 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-[(Z)-pent-1-en-3-ynyl]acetamide is sourced from PubChem (CID 156685917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).