2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3NO — CID 78865729

IUPAC2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CC1C=CCC1
InChIInChI=1S/C11H16F3NO/c1-2-15(8-11(12,13)14)10(16)7-9-5-3-4-6-9/h3,5,9H,2,4,6-8H2,1H3
InChIKeyQNEACNONZSNSBX-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.75
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78865729) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78865729
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CC1C=CCC1
InChIInChI=1S/C11H16F3NO/c1-2-15(8-11(12,13)14)10(16)7-9-5-3-4-6-9/h3,5,9H,2,4,6-8H2,1H3
InChIKeyQNEACNONZSNSBX-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
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-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (CID 78865729) is 2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QNEACNONZSNSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-15(8-11(12,13)14)10(16)7-9-5-3-4-6-9/h3,5,9H,2,4,6-8H2,1H3.
What are the key properties of 2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 235.25 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78865729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).