N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide

C13H18F9NO2 — CID 161360684

IUPACN-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide
SMILESCC(C)OCCCCC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H18F9NO2/c1-8(2)25-6-4-3-5-9(24)23-7-10(14,15)11(16,17)12(18,19)13(20,21)22/h8H,3-7H2,1-2H3,(H,23,24)
InChIKeyFUGWSYXZPGZRJF-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.17
Rot. Bonds10

About N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide

N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide (PubChem CID 161360684) has the molecular formula C13H18F9NO2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide.

Molecular Properties

Compound NameN-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide
PubChem CID161360684
Molecular FormulaC13H18F9NO2
Molecular Weight391.27 g/mol
Exact Mass391.12
IUPAC NameN-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide
SMILESCC(C)OCCCCC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H18F9NO2/c1-8(2)25-6-4-3-5-9(24)23-7-10(14,15)11(16,17)12(18,19)13(20,21)22/h8H,3-7H2,1-2H3,(H,23,24)
InChIKeyFUGWSYXZPGZRJF-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
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 N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide?
The IUPAC name of N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide (CID 161360684) is N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide.
What is the SMILES notation for N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide?
The canonical SMILES for N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide is CC(C)OCCCCC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide?
The InChIKey is FUGWSYXZPGZRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F9NO2/c1-8(2)25-6-4-3-5-9(24)23-7-10(14,15)11(16,17)12(18,19)13(20,21)22/h8H,3-7H2,1-2H3,(H,23,24).
What are the key properties of N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide?
N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide has a molecular weight of 391.27 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-5-propan-2-yloxypentanamide is sourced from PubChem (CID 161360684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).