4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide

C7H10F5NO2 — CID 162347369

IUPAC4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide
SMILESCN(C)C(=O)C(O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO2/c1-13(2)5(15)4(14)3-6(8,9)7(10,11)12/h4,14H,3H2,1-2H3
InChIKeyZBOYCUXDUYVLOF-UHFFFAOYSA-N
MW235.15 g/mol
LogP1.02
Rot. Bonds3

About 4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide

4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide (PubChem CID 162347369) has the molecular formula C7H10F5NO2 and a molecular weight of 235.15 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide
PubChem CID162347369
Molecular FormulaC7H10F5NO2
Molecular Weight235.15 g/mol
Exact Mass235.06
IUPAC Name4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide
SMILESCN(C)C(=O)C(O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO2/c1-13(2)5(15)4(14)3-6(8,9)7(10,11)12/h4,14H,3H2,1-2H3
InChIKeyZBOYCUXDUYVLOF-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pentafluoro-2-hydroxy-N,N-dimethylpentanamide?
The IUPAC name of 4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide (CID 162347369) is 4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide?
The canonical SMILES for 4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide is CN(C)C(=O)C(O)CC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide?
The InChIKey is ZBOYCUXDUYVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO2/c1-13(2)5(15)4(14)3-6(8,9)7(10,11)12/h4,14H,3H2,1-2H3.
What are the key properties of 4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide?
4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide has a molecular weight of 235.15 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide is sourced from PubChem (CID 162347369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).