2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide

C15H24F7NO — CID 607665

IUPAC2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide
SMILESCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H24F7NO/c1-2-3-4-5-6-7-8-9-10-11-23-12(24)13(16,17)14(18,19)15(20,21)22/h2-11H2,1H3,(H,23,24)
InChIKeyQKUCBJOOBNTYEJ-UHFFFAOYSA-N
MW367.35 g/mol
LogP5.47
Rot. Bonds12

About 2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide (PubChem CID 607665) has the molecular formula C15H24F7NO and a molecular weight of 367.35 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide
PubChem CID607665
Molecular FormulaC15H24F7NO
Molecular Weight367.35 g/mol
Exact Mass367.17
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide
SMILESCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H24F7NO/c1-2-3-4-5-6-7-8-9-10-11-23-12(24)13(16,17)14(18,19)15(20,21)22/h2-11H2,1H3,(H,23,24)
InChIKeyQKUCBJOOBNTYEJ-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.35
LogP ≤ 55.47
H-Bond Donors ≤ 51
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-undecylbutanamide 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-undecylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide (CID 607665) is 2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide is CCCCCCCCCCCNC(=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-undecylbutanamide?
The InChIKey is QKUCBJOOBNTYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F7NO/c1-2-3-4-5-6-7-8-9-10-11-23-12(24)13(16,17)14(18,19)15(20,21)22/h2-11H2,1H3,(H,23,24).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-undecylbutanamide has a molecular weight of 367.35 g/mol, XLogP of 5.47, 12 rotatable bonds, 1 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-undecylbutanamide is sourced from PubChem (CID 607665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).