2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide

C26H46F7NO — CID 631749

IUPAC2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C26H46F7NO/c1-3-5-7-9-11-13-15-17-19-21-34(22-20-18-16-14-12-10-8-6-4-2)23(35)24(27,28)25(29,30)26(31,32)33/h3-22H2,1-2H3
InChIKeyLEYMXDNGRHCLNZ-UHFFFAOYSA-N
MW521.65 g/mol
LogP9.71
Rot. Bonds22

About 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide (PubChem CID 631749) has the molecular formula C26H46F7NO and a molecular weight of 521.65 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide
PubChem CID631749
Molecular FormulaC26H46F7NO
Molecular Weight521.65 g/mol
Exact Mass521.35
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C26H46F7NO/c1-3-5-7-9-11-13-15-17-19-21-34(22-20-18-16-14-12-10-8-6-4-2)23(35)24(27,28)25(29,30)26(31,32)33/h3-22H2,1-2H3
InChIKeyLEYMXDNGRHCLNZ-UHFFFAOYSA-N
XLogP9.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.65
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide 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 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide (CID 631749) is 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide is CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide?
The InChIKey is LEYMXDNGRHCLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46F7NO/c1-3-5-7-9-11-13-15-17-19-21-34(22-20-18-16-14-12-10-8-6-4-2)23(35)24(27,28)25(29,30)26(31,32)33/h3-22H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide has a molecular weight of 521.65 g/mol, XLogP of 9.71, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N,N-di(undecyl)butanamide is sourced from PubChem (CID 631749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).