N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide

C10H16F3NO — CID 64914468

IUPACN-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
SMILESCCC1CCC(NC(=O)C(F)(F)F)C1C
InChIInChI=1S/C10H16F3NO/c1-3-7-4-5-8(6(7)2)14-9(15)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyFOJYQTKKAIZBTO-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.49
Rot. Bonds2

About N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide

N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide (PubChem CID 64914468) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
PubChem CID64914468
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
SMILESCCC1CCC(NC(=O)C(F)(F)F)C1C
InChIInChI=1S/C10H16F3NO/c1-3-7-4-5-8(6(7)2)14-9(15)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyFOJYQTKKAIZBTO-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-ethyl-2-methylcyclopentyl)-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-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide (CID 64914468) is N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide is CCC1CCC(NC(=O)C(F)(F)F)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide?
The InChIKey is FOJYQTKKAIZBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-3-7-4-5-8(6(7)2)14-9(15)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide?
N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide has a molecular weight of 223.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 64914468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).