2,2,2-trifluoro-N,N-di(undecyl)acetamide

C24H46F3NO — CID 631766

IUPAC2,2,2-trifluoro-N,N-di(undecyl)acetamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)C(F)(F)F
InChIInChI=1S/C24H46F3NO/c1-3-5-7-9-11-13-15-17-19-21-28(23(29)24(25,26)27)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyPIKHUOSAHNBYJC-UHFFFAOYSA-N
MW421.63 g/mol
LogP8.44
Rot. Bonds20

About 2,2,2-trifluoro-N,N-di(undecyl)acetamide

2,2,2-trifluoro-N,N-di(undecyl)acetamide (PubChem CID 631766) has the molecular formula C24H46F3NO and a molecular weight of 421.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-di(undecyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-di(undecyl)acetamide
PubChem CID631766
Molecular FormulaC24H46F3NO
Molecular Weight421.63 g/mol
Exact Mass421.35
IUPAC Name2,2,2-trifluoro-N,N-di(undecyl)acetamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)C(F)(F)F
InChIInChI=1S/C24H46F3NO/c1-3-5-7-9-11-13-15-17-19-21-28(23(29)24(25,26)27)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyPIKHUOSAHNBYJC-UHFFFAOYSA-N
XLogP8.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.63
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N,N-di(undecyl)acetamide 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,N-di(undecyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N,N-di(undecyl)acetamide (CID 631766) is 2,2,2-trifluoro-N,N-di(undecyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N-di(undecyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N,N-di(undecyl)acetamide is CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-di(undecyl)acetamide?
The InChIKey is PIKHUOSAHNBYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46F3NO/c1-3-5-7-9-11-13-15-17-19-21-28(23(29)24(25,26)27)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-di(undecyl)acetamide?
2,2,2-trifluoro-N,N-di(undecyl)acetamide has a molecular weight of 421.63 g/mol, XLogP of 8.44, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-di(undecyl)acetamide is sourced from PubChem (CID 631766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).