N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide

C9H12F3NO2 — CID 139915169

IUPACN-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)C1(NC(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C9H12F3NO2/c1-6(14)8(4-2-3-5-8)13-7(15)9(10,11)12/h2-5H2,1H3,(H,13,15)
InChIKeyJKRPSJUJIVMMSN-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.57
Rot. Bonds2

About N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide

N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide (PubChem CID 139915169) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide
PubChem CID139915169
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC NameN-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)C1(NC(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C9H12F3NO2/c1-6(14)8(4-2-3-5-8)13-7(15)9(10,11)12/h2-5H2,1H3,(H,13,15)
InChIKeyJKRPSJUJIVMMSN-UHFFFAOYSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide (CID 139915169) is N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide is CC(=O)C1(NC(=O)C(F)(F)F)CCCC1.
What is the InChIKey of N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide?
The InChIKey is JKRPSJUJIVMMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-6(14)8(4-2-3-5-8)13-7(15)9(10,11)12/h2-5H2,1H3,(H,13,15).
What are the key properties of N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide?
N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide has a molecular weight of 223.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylcyclopentyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 139915169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).