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

C11H16F3NO2 — CID 113339807

IUPAC2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1C=CCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)8-15(5-6-16)10(17)7-9-3-1-2-4-9/h1,3,9,16H,2,4-8H2
InChIKeyFLTJASBACACGBK-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.73
Rot. Bonds5

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

2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113339807) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113339807
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1C=CCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)8-15(5-6-16)10(17)7-9-3-1-2-4-9/h1,3,9,16H,2,4-8H2
InChIKeyFLTJASBACACGBK-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 113339807) is 2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1C=CCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FLTJASBACACGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)8-15(5-6-16)10(17)7-9-3-1-2-4-9/h1,3,9,16H,2,4-8H2.
What are the key properties of 2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 251.25 g/mol, XLogP of 1.73, 5 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-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113339807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).