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

C7H5F4NO — CID 91927021

IUPAC2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)(F)C(F)F)c1
InChIInChI=1S/C7H5F4NO/c8-6(9)7(10,11)5-3-4(13)1-2-12-5/h1-3,6H,(H,12,13)
InChIKeyHDTWWBTZZHXOPI-UHFFFAOYSA-N
MW195.12 g/mol
LogP1.73
Rot. Bonds2

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

2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one (PubChem CID 91927021) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one
PubChem CID91927021
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Name2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)(F)C(F)F)c1
InChIInChI=1S/C7H5F4NO/c8-6(9)7(10,11)5-3-4(13)1-2-12-5/h1-3,6H,(H,12,13)
InChIKeyHDTWWBTZZHXOPI-UHFFFAOYSA-N
XLogP1.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 51.73
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-tetrafluoroethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one (CID 91927021) is 2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one is O=c1cc[nH]c(C(F)(F)C(F)F)c1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one?
The InChIKey is HDTWWBTZZHXOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c8-6(9)7(10,11)5-3-4(13)1-2-12-5/h1-3,6H,(H,12,13).
What are the key properties of 2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one?
2-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-4-one has a molecular weight of 195.12 g/mol, XLogP of 1.73, 2 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-tetrafluoroethyl)-1H-pyridin-4-one is sourced from PubChem (CID 91927021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).