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

C12H8F9NO — CID 4525398

IUPACN-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESO=C(NCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H8F9NO/c13-9(14,10(15,16)11(17,18)12(19,20)21)8(23)22-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,22,23)
InChIKeyQEMFDPGAWPIOHK-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.77
Rot. Bonds5

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

N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 4525398) has the molecular formula C12H8F9NO and a molecular weight of 353.18 g/mol. Its IUPAC name is N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID4525398
Molecular FormulaC12H8F9NO
Molecular Weight353.18 g/mol
Exact Mass353.05
IUPAC NameN-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESO=C(NCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H8F9NO/c13-9(14,10(15,16)11(17,18)12(19,20)21)8(23)22-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,22,23)
InChIKeyQEMFDPGAWPIOHK-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-phenylbutyl)hexanediamide
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2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide
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(2R)-N-benzyl-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
CID 163133439
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
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2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005
N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide
CID 71671968
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(pyridin-4-ylmethyl)heptanamide
CID 3357198
N-benzyl-2-methyl-2-(methylamino)propanamide
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2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 4525398) is N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is O=C(NCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is QEMFDPGAWPIOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F9NO/c13-9(14,10(15,16)11(17,18)12(19,20)21)8(23)22-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,22,23).
What are the key properties of N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 353.18 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 4525398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).