4,4,5,5,5-pentafluoropentanamide

C5H6F5NO — CID 54092366

IUPAC4,4,5,5,5-pentafluoropentanamide
SMILESNC(=O)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO/c6-4(7,5(8,9)10)2-1-3(11)12/h1-2H2,(H2,11,12)
InChIKeyXKXCZVWKQQTRPW-UHFFFAOYSA-N
MW191.10 g/mol
LogP1.45
Rot. Bonds3

About 4,4,5,5,5-pentafluoropentanamide

4,4,5,5,5-pentafluoropentanamide (PubChem CID 54092366) has the molecular formula C5H6F5NO and a molecular weight of 191.10 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoropentanamide.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoropentanamide
PubChem CID54092366
Molecular FormulaC5H6F5NO
Molecular Weight191.10 g/mol
Exact Mass191.04
IUPAC Name4,4,5,5,5-pentafluoropentanamide
SMILESNC(=O)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO/c6-4(7,5(8,9)10)2-1-3(11)12/h1-2H2,(H2,11,12)
InChIKeyXKXCZVWKQQTRPW-UHFFFAOYSA-N
XLogP1.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 51.45
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 4,4,5,5,5-pentafluoropentanamide?
The IUPAC name of 4,4,5,5,5-pentafluoropentanamide (CID 54092366) is 4,4,5,5,5-pentafluoropentanamide.
What is the SMILES notation for 4,4,5,5,5-pentafluoropentanamide?
The canonical SMILES for 4,4,5,5,5-pentafluoropentanamide is NC(=O)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoropentanamide?
The InChIKey is XKXCZVWKQQTRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO/c6-4(7,5(8,9)10)2-1-3(11)12/h1-2H2,(H2,11,12).
What are the key properties of 4,4,5,5,5-pentafluoropentanamide?
4,4,5,5,5-pentafluoropentanamide has a molecular weight of 191.10 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoropentanamide is sourced from PubChem (CID 54092366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).