4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one

C8H6F5NO — CID 10105131

IUPAC4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C8H6F5NO/c1-4-2-5(14-6(15)3-4)7(9,10)8(11,12)13/h2-3H,1H3,(H,14,15)
InChIKeyNWWMUUFRGVQFPK-UHFFFAOYSA-N
MW227.13 g/mol
LogP2.34
Rot. Bonds1

About 4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one

4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one (PubChem CID 10105131) has the molecular formula C8H6F5NO and a molecular weight of 227.13 g/mol. Its IUPAC name is 4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
PubChem CID10105131
Molecular FormulaC8H6F5NO
Molecular Weight227.13 g/mol
Exact Mass227.04
IUPAC Name4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C8H6F5NO/c1-4-2-5(14-6(15)3-4)7(9,10)8(11,12)13/h2-3H,1H3,(H,14,15)
InChIKeyNWWMUUFRGVQFPK-UHFFFAOYSA-N
XLogP2.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 52.34
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-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one (CID 10105131) is 4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one is Cc1cc(C(F)(F)C(F)(F)F)[nH]c(=O)c1.
What is the InChIKey of 4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one?
The InChIKey is NWWMUUFRGVQFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO/c1-4-2-5(14-6(15)3-4)7(9,10)8(11,12)13/h2-3H,1H3,(H,14,15).
What are the key properties of 4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one?
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one has a molecular weight of 227.13 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 10105131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).