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

C8H3F8NO — CID 154717791

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H3F8NO/c9-6(10,8(14,15)16)3-1-4(7(11,12)13)5(18)17-2-3/h1-2H,(H,17,18)
InChIKeyVLWYOHVRJFYFEK-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.05
Rot. Bonds1

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

5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 154717791) has the molecular formula C8H3F8NO and a molecular weight of 281.10 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID154717791
Molecular FormulaC8H3F8NO
Molecular Weight281.10 g/mol
Exact Mass281.01
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H3F8NO/c9-6(10,8(14,15)16)3-1-4(7(11,12)13)5(18)17-2-3/h1-2H,(H,17,18)
InChIKeyVLWYOHVRJFYFEK-UHFFFAOYSA-N
XLogP3.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-5-(trifluoromethyl)pyridine
CID 147443
3-Chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridin-2(1H)-one
CID 118065026
3,5-Bis(trifluoromethyl)pyridin-2-ol
CID 14148750
3-Iodo-5-(Trifluoromethyl)Pyridin-2-Ol
CID 46315209
5-(Difluoromethyl)pyridin-2-ol
CID 83854588
3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 102291873
2-Oxo-4-(perfluoroethyl)-1,2-dihydropyridine-3-carbonitrile
CID 171665702
4,5-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13851617
2-Hydroxy-5-(trifluoromethyl)nicotinonitrile
CID 14837020
3,4-Bis(trifluoromethyl)-2-hydroxypyridine
CID 20429828
3-Fluoro-5-(trifluoromethyl)pyridin-2-ol
CID 21618255
3-Methyl-5-(trifluoromethyl)pyridin-2(1H)-one
CID 23049003

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 154717791) is 5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is VLWYOHVRJFYFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F8NO/c9-6(10,8(14,15)16)3-1-4(7(11,12)13)5(18)17-2-3/h1-2H,(H,17,18).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 281.10 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 154717791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).