3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide

C6H4F7NO — CID 87270154

IUPAC3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F7NO/c1-2(3(14)15)4(7,8)5(9,10)6(11,12)13/h1H2,(H2,14,15)
InChIKeyOEHMKBPOZKVMSH-UHFFFAOYSA-N
MW239.09 g/mol
LogP1.86
Rot. Bonds3

About 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide

3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide (PubChem CID 87270154) has the molecular formula C6H4F7NO and a molecular weight of 239.09 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide
PubChem CID87270154
Molecular FormulaC6H4F7NO
Molecular Weight239.09 g/mol
Exact Mass239.02
IUPAC Name3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F7NO/c1-2(3(14)15)4(7,8)5(9,10)6(11,12)13/h1H2,(H2,14,15)
InChIKeyOEHMKBPOZKVMSH-UHFFFAOYSA-N
XLogP1.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.09
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide (CID 87270154) is 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide is C=C(C(N)=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide?
The InChIKey is OEHMKBPOZKVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F7NO/c1-2(3(14)15)4(7,8)5(9,10)6(11,12)13/h1H2,(H2,14,15).
What are the key properties of 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide?
3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide has a molecular weight of 239.09 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoro-2-methylidenepentanamide is sourced from PubChem (CID 87270154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).