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

C12H10F14N2O2 — CID 614611

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide
SMILESO=C(NCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F14N2O2/c13-7(14,9(17,18)11(21,22)23)5(29)27-3-1-2-4-28-6(30)8(15,16)10(19,20)12(24,25)26/h1-4H2,(H,27,29)(H,28,30)
InChIKeyAHAQXHMPHGIPBT-UHFFFAOYSA-N
MW480.20 g/mol
LogP3.66
Rot. Bonds9

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

2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide (PubChem CID 614611) has the molecular formula C12H10F14N2O2 and a molecular weight of 480.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide
PubChem CID614611
Molecular FormulaC12H10F14N2O2
Molecular Weight480.20 g/mol
Exact Mass480.05
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide
SMILESO=C(NCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F14N2O2/c13-7(14,9(17,18)11(21,22)23)5(29)27-3-1-2-4-28-6(30)8(15,16)10(19,20)12(24,25)26/h1-4H2,(H,27,29)(H,28,30)
InChIKeyAHAQXHMPHGIPBT-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.20
LogP ≤ 53.66
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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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-heptafluorobutanoylamino)butyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide (CID 614611) is 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)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-heptafluorobutanoylamino)butyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide is O=C(NCCCCNC(=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-heptafluorobutanoylamino)butyl]butanamide?
The InChIKey is AHAQXHMPHGIPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F14N2O2/c13-7(14,9(17,18)11(21,22)23)5(29)27-3-1-2-4-28-6(30)8(15,16)10(19,20)12(24,25)26/h1-4H2,(H,27,29)(H,28,30).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide has a molecular weight of 480.20 g/mol, XLogP of 3.66, 9 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-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide is sourced from PubChem (CID 614611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).