N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide

C13H24F3NO2 — CID 91721560

IUPACN-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide
SMILESCCCCC(CC)COCCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-3-5-7-11(4-2)10-19-9-6-8-17-12(18)13(14,15)16/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyICTVAXQPDDSLGE-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.29
Rot. Bonds10

About N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide

N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide (PubChem CID 91721560) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide
PubChem CID91721560
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC NameN-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide
SMILESCCCCC(CC)COCCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-3-5-7-11(4-2)10-19-9-6-8-17-12(18)13(14,15)16/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyICTVAXQPDDSLGE-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-ethylhexoxy)propyl]-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-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide (CID 91721560) is N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide is CCCCC(CC)COCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide?
The InChIKey is ICTVAXQPDDSLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-3-5-7-11(4-2)10-19-9-6-8-17-12(18)13(14,15)16/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide?
N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide has a molecular weight of 283.33 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylhexoxy)propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91721560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).