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

C11H8F14N2O2 — CID 3817196

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide
SMILESO=C(NCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F14N2O2/c12-6(13,8(16,17)10(20,21)22)4(28)26-2-1-3-27-5(29)7(14,15)9(18,19)11(23,24)25/h1-3H2,(H,26,28)(H,27,29)
InChIKeyFLHPCAVTMZPEEL-UHFFFAOYSA-N
MW466.17 g/mol
LogP3.27
Rot. Bonds8

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

2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide (PubChem CID 3817196) 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-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide
PubChem CID3817196
Molecular FormulaC11H8F14N2O2
Molecular Weight466.17 g/mol
Exact Mass466.04
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide
SMILESO=C(NCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F14N2O2/c12-6(13,8(16,17)10(20,21)22)4(28)26-2-1-3-27-5(29)7(14,15)9(18,19)11(23,24)25/h1-3H2,(H,26,28)(H,27,29)
InChIKeyFLHPCAVTMZPEEL-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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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
2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327
2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782
N-(2-Butyl)heptafluorobutyramide
CID 617516

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide (CID 3817196) is 2,2,3,3,4,4,4-heptafluoro-N-[3-(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-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide is O=C(NCCCNC(=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-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide?
The InChIKey is FLHPCAVTMZPEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F14N2O2/c12-6(13,8(16,17)10(20,21)22)4(28)26-2-1-3-27-5(29)7(14,15)9(18,19)11(23,24)25/h1-3H2,(H,26,28)(H,27,29).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide has a molecular weight of 466.17 g/mol, XLogP of 3.27, 8 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-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide is sourced from PubChem (CID 3817196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).