2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide

C12H6F18N2O2 — CID 4148151

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide
SMILESO=C(NCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H6F18N2O2/c13-5(14,7(17,18)9(21,22)11(25,26)27)3(33)31-1-2-32-4(34)6(15,16)8(19,20)10(23,24)12(28,29)30/h1-2H2,(H,31,33)(H,32,34)
InChIKeyQVRJRHUMFTVYEN-UHFFFAOYSA-N
MW552.16 g/mol
LogP4.16
Rot. Bonds9

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide (PubChem CID 4148151) has the molecular formula C12H6F18N2O2 and a molecular weight of 552.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide
PubChem CID4148151
Molecular FormulaC12H6F18N2O2
Molecular Weight552.16 g/mol
Exact Mass552.01
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide
SMILESO=C(NCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H6F18N2O2/c13-5(14,7(17,18)9(21,22)11(25,26)27)3(33)31-1-2-32-4(34)6(15,16)8(19,20)10(23,24)12(28,29)30/h1-2H2,(H,31,33)(H,32,34)
InChIKeyQVRJRHUMFTVYEN-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.16
LogP ≤ 54.16
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

N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
N,N'-bis(Perfluorobutanoyl)1,6-hexanediamine
CID 4396391
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(Perfluorononanoyl)1,2-ethanediamine
CID 3089665
N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
CID 3817196
N,N'-(Propane-1,2-diyl)bis(2,2,3,3,4,4,4-heptafluorobutanamide)
CID 4147050
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4185686
N-Ethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4280657
1,2-Diaminoethane, N,N'-bis(pentafluoropropionyl)
CID 600476

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide (CID 4148151) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide is O=C(NCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide?
The InChIKey is QVRJRHUMFTVYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F18N2O2/c13-5(14,7(17,18)9(21,22)11(25,26)27)3(33)31-1-2-32-4(34)6(15,16)8(19,20)10(23,24)12(28,29)30/h1-2H2,(H,31,33)(H,32,34).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide has a molecular weight of 552.16 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide is sourced from PubChem (CID 4148151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).