2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide

C9H10F9NO — CID 4123450

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide
SMILESCC(C)CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO/c1-4(2)3-19-5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h4H,3H2,1-2H3,(H,19,20)
InChIKeySGSXPHORYMNWDB-UHFFFAOYSA-N
MW319.17 g/mol
LogP3.23
Rot. Bonds5

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide (PubChem CID 4123450) has the molecular formula C9H10F9NO and a molecular weight of 319.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide
PubChem CID4123450
Molecular FormulaC9H10F9NO
Molecular Weight319.17 g/mol
Exact Mass319.06
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide
SMILESCC(C)CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO/c1-4(2)3-19-5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h4H,3H2,1-2H3,(H,19,20)
InChIKeySGSXPHORYMNWDB-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide (CID 4123450) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide is CC(C)CNC(=O)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-methylpropyl)pentanamide?
The InChIKey is SGSXPHORYMNWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO/c1-4(2)3-19-5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h4H,3H2,1-2H3,(H,19,20).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide has a molecular weight of 319.17 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 4123450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).