2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide

C14H13F14N3O2 — CID 3340687

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide
SMILESO=C(NCCN1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H13F14N3O2/c15-9(16,11(19,20)13(23,24)25)7(32)29-1-2-30-3-5-31(6-4-30)8(33)10(17,18)12(21,22)14(26,27)28/h1-6H2,(H,29,32)
InChIKeyVTKPNMZKYAXFSG-UHFFFAOYSA-N
MW521.25 g/mol
LogP2.91
Rot. Bonds7

About 2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide (PubChem CID 3340687) has the molecular formula C14H13F14N3O2 and a molecular weight of 521.25 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide
PubChem CID3340687
Molecular FormulaC14H13F14N3O2
Molecular Weight521.25 g/mol
Exact Mass521.08
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide
SMILESO=C(NCCN1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H13F14N3O2/c15-9(16,11(19,20)13(23,24)25)7(32)29-1-2-30-3-5-31(6-4-30)8(33)10(17,18)12(21,22)14(26,27)28/h1-6H2,(H,29,32)
InChIKeyVTKPNMZKYAXFSG-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide (CID 3340687) is 2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide is O=C(NCCN1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1)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-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide?
The InChIKey is VTKPNMZKYAXFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F14N3O2/c15-9(16,11(19,20)13(23,24)25)7(32)29-1-2-30-3-5-31(6-4-30)8(33)10(17,18)12(21,22)14(26,27)28/h1-6H2,(H,29,32).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide has a molecular weight of 521.25 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 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-[2-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazin-1-yl]ethyl]butanamide is sourced from PubChem (CID 3340687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).