N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

C9H10F9NO — CID 4196056

IUPACN-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO/c1-2-3-4-19-5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h2-4H2,1H3,(H,19,20)
InChIKeyBPKHCGPAWIBCPT-UHFFFAOYSA-N
MW319.17 g/mol
LogP3.37
Rot. Bonds6

About N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 4196056) has the molecular formula C9H10F9NO and a molecular weight of 319.17 g/mol. Its IUPAC name is N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID4196056
Molecular FormulaC9H10F9NO
Molecular Weight319.17 g/mol
Exact Mass319.06
IUPAC NameN-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO/c1-2-3-4-19-5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h2-4H2,1H3,(H,19,20)
InChIKeyBPKHCGPAWIBCPT-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 4196056) is N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is BPKHCGPAWIBCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO/c1-2-3-4-19-5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h2-4H2,1H3,(H,19,20).
What are the key properties of N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 319.17 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 4196056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).