2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide

C11H8F14N2O2 — CID 4147050

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide
SMILESCC(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F14N2O2/c1-3(27-5(29)7(14,15)9(18,19)11(23,24)25)2-26-4(28)6(12,13)8(16,17)10(20,21)22/h3H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyHGSDUSCXQFLBKU-UHFFFAOYSA-N
MW466.17 g/mol
LogP3.27
Rot. Bonds7

About 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide (PubChem CID 4147050) has the molecular formula C11H8F14N2O2 and a molecular weight of 466.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide
PubChem CID4147050
Molecular FormulaC11H8F14N2O2
Molecular Weight466.17 g/mol
Exact Mass466.04
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide
SMILESCC(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F14N2O2/c1-3(27-5(29)7(14,15)9(18,19)11(23,24)25)2-26-4(28)6(12,13)8(16,17)10(20,21)22/h3H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyHGSDUSCXQFLBKU-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.17
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide
CID 4123450
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate
CID 3676821
2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
CID 614782
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide
CID 3089678
2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
CID 3089717
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(3-methylbutyl)heptanamide
CID 3089865
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-di(heptan-2-yl)heptanediamide
CID 3633560
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methylbutyl)nonanamide
CID 3089869
2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide
CID 3253809
2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide
CID 141040255
2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide
CID 2851781

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide (CID 4147050) is 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide is CC(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)NC(=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-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide?
The InChIKey is HGSDUSCXQFLBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F14N2O2/c1-3(27-5(29)7(14,15)9(18,19)11(23,24)25)2-26-4(28)6(12,13)8(16,17)10(20,21)22/h3H,2H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide has a molecular weight of 466.17 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide is sourced from PubChem (CID 4147050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).