2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide

C14H26F3NO2 — CID 91737620

IUPAC2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide
SMILESCCCCCOCCN(CCCCC)C(=O)C(F)(F)F
InChIInChI=1S/C14H26F3NO2/c1-3-5-7-9-18(13(19)14(15,16)17)10-12-20-11-8-6-4-2/h3-12H2,1-2H3
InChIKeyBROLBZBUXNLEIC-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.77
Rot. Bonds11

About 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide

2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide (PubChem CID 91737620) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide
PubChem CID91737620
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide
SMILESCCCCCOCCN(CCCCC)C(=O)C(F)(F)F
InChIInChI=1S/C14H26F3NO2/c1-3-5-7-9-18(13(19)14(15,16)17)10-12-20-11-8-6-4-2/h3-12H2,1-2H3
InChIKeyBROLBZBUXNLEIC-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide 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 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide (CID 91737620) is 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide is CCCCCOCCN(CCCCC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide?
The InChIKey is BROLBZBUXNLEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-3-5-7-9-18(13(19)14(15,16)17)10-12-20-11-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide?
2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide has a molecular weight of 297.36 g/mol, XLogP of 3.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-pentoxyethyl)-N-pentylacetamide is sourced from PubChem (CID 91737620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).