N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide

C11H8F7NO — CID 563921

IUPACN-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F7NO/c12-9(13,10(14,15)11(16,17)18)8(20)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,19,20)
InChIKeyJGYHLDPCXQPJCA-UHFFFAOYSA-N
MW303.18 g/mol
LogP3.14
Rot. Bonds4

About N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide

N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 563921) has the molecular formula C11H8F7NO and a molecular weight of 303.18 g/mol. Its IUPAC name is N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID563921
Molecular FormulaC11H8F7NO
Molecular Weight303.18 g/mol
Exact Mass303.05
IUPAC NameN-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F7NO/c12-9(13,10(14,15)11(16,17)18)8(20)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,19,20)
InChIKeyJGYHLDPCXQPJCA-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 53.14
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 N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide (CID 563921) is N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide is O=C(NCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is JGYHLDPCXQPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F7NO/c12-9(13,10(14,15)11(16,17)18)8(20)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,19,20).
What are the key properties of N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide?
N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 303.18 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 563921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).