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

C19H16F21N3O3 — CID 91736167

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide
SMILESO=C(NCCCCN(CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H16F21N3O3/c20-11(21,14(26,27)17(32,33)34)8(44)41-4-1-2-6-43(10(46)13(24,25)16(30,31)19(38,39)40)7-3-5-42-9(45)12(22,23)15(28,29)18(35,36)37/h1-7H2,(H,41,44)(H,42,45)
InChIKeyBYXPCHIXXIWEJU-UHFFFAOYSA-N
MW733.31 g/mol
LogP5.72
Rot. Bonds15

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

2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide (PubChem CID 91736167) has the molecular formula C19H16F21N3O3 and a molecular weight of 733.31 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide
PubChem CID91736167
Molecular FormulaC19H16F21N3O3
Molecular Weight733.31 g/mol
Exact Mass733.09
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide
SMILESO=C(NCCCCN(CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H16F21N3O3/c20-11(21,14(26,27)17(32,33)34)8(44)41-4-1-2-6-43(10(46)13(24,25)16(30,31)19(38,39)40)7-3-5-42-9(45)12(22,23)15(28,29)18(35,36)37/h1-7H2,(H,41,44)(H,42,45)
InChIKeyBYXPCHIXXIWEJU-UHFFFAOYSA-N
XLogP5.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.31
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide with MolForge

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Related Compounds

2,2,2-Trifluoro-N-[4-(2,2,2-trifluoro-acetylamino)-butyl]-acetamide
CID 581000
2,2,2-trifluoro-N-[3-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butylamino]propyl]acetamide
CID 388776
2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
N,N'-bis(Perfluorobutanoyl)1,6-hexanediamine
CID 4396391
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5094771
2,2,2-trifluoro-N-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butyl]acetamide
CID 389609
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl]butanamide
CID 350051
N,N'-bis(Perfluorobutanoyl)1,5-pentanediamine
CID 3089628
N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
CID 3817196
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4185686

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide (CID 91736167) is 2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide is O=C(NCCCCN(CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide?
The InChIKey is BYXPCHIXXIWEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F21N3O3/c20-11(21,14(26,27)17(32,33)34)8(44)41-4-1-2-6-43(10(46)13(24,25)16(30,31)19(38,39)40)7-3-5-42-9(45)12(22,23)15(28,29)18(35,36)37/h1-7H2,(H,41,44)(H,42,45).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide has a molecular weight of 733.31 g/mol, XLogP of 5.72, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[4-[2,2,3,3,4,4,4-heptafluorobutanoyl-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]amino]butyl]butanamide is sourced from PubChem (CID 91736167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).