2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one

C7H4F5NO — CID 87361825

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)5-3-4(14)1-2-13-5/h1-3H,(H,13,14)
InChIKeyUCOZRMDJKIDZIM-UHFFFAOYSA-N
MW213.11 g/mol
LogP2.03
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one

2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one (PubChem CID 87361825) has the molecular formula C7H4F5NO and a molecular weight of 213.11 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one
PubChem CID87361825
Molecular FormulaC7H4F5NO
Molecular Weight213.11 g/mol
Exact Mass213.02
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)5-3-4(14)1-2-13-5/h1-3H,(H,13,14)
InChIKeyUCOZRMDJKIDZIM-UHFFFAOYSA-N
XLogP2.03
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 52.03
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 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one (CID 87361825) is 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one is O=c1cc[nH]c(C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one?
The InChIKey is UCOZRMDJKIDZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)5-3-4(14)1-2-13-5/h1-3H,(H,13,14).
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one?
2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one has a molecular weight of 213.11 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-4-one is sourced from PubChem (CID 87361825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).