2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide

C12H18F3NO2 — CID 86928864

IUPAC2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESO=C(CC1C=CCC1)NCCCOCC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)9-18-7-3-6-16-11(17)8-10-4-1-2-5-10/h1,4,10H,2-3,5-9H2,(H,16,17)
InChIKeyDJKLEYRMYDYOEH-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.43
Rot. Bonds7

About 2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide

2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (PubChem CID 86928864) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
PubChem CID86928864
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESO=C(CC1C=CCC1)NCCCOCC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)9-18-7-3-6-16-11(17)8-10-4-1-2-5-10/h1,4,10H,2-3,5-9H2,(H,16,17)
InChIKeyDJKLEYRMYDYOEH-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (CID 86928864) is 2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is O=C(CC1C=CCC1)NCCCOCC(F)(F)F.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The InChIKey is DJKLEYRMYDYOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)9-18-7-3-6-16-11(17)8-10-4-1-2-5-10/h1,4,10H,2-3,5-9H2,(H,16,17).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide has a molecular weight of 265.27 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is sourced from PubChem (CID 86928864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).