5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one

C7H4F5NO — CID 78925455

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one
SMILESO=C1CC=C(C(F)(F)C(F)(F)F)C=N1
InChIInChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)4-1-2-5(14)13-3-4/h1,3H,2H2
InChIKeyVJJLCCIUDHYYKA-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.11
Rot. Bonds1

About 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one

5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one (PubChem CID 78925455) has the molecular formula C7H4F5NO and a molecular weight of 213.10 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one
PubChem CID78925455
Molecular FormulaC7H4F5NO
Molecular Weight213.10 g/mol
Exact Mass213.02
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one
SMILESO=C1CC=C(C(F)(F)C(F)(F)F)C=N1
InChIInChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)4-1-2-5(14)13-3-4/h1,3H,2H2
InChIKeyVJJLCCIUDHYYKA-UHFFFAOYSA-N
XLogP2.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one (CID 78925455) is 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one is O=C1CC=C(C(F)(F)C(F)(F)F)C=N1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one?
The InChIKey is VJJLCCIUDHYYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)4-1-2-5(14)13-3-4/h1,3H,2H2.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one?
5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one has a molecular weight of 213.10 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-3H-pyridin-2-one is sourced from PubChem (CID 78925455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).