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

C7H4F5NO — CID 10013443

IUPAC6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
SMILESO=c1cccc(C(F)(F)C(F)(F)F)[nH]1
InChIInChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)4-2-1-3-5(14)13-4/h1-3H,(H,13,14)
InChIKeyUUEDPMIVCSMVTI-UHFFFAOYSA-N
MW213.11 g/mol
LogP2.03
Rot. Bonds1

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

6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one (PubChem CID 10013443) has the molecular formula C7H4F5NO and a molecular weight of 213.11 g/mol. Its IUPAC name is 6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
PubChem CID10013443
Molecular FormulaC7H4F5NO
Molecular Weight213.11 g/mol
Exact Mass213.02
IUPAC Name6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
SMILESO=c1cccc(C(F)(F)C(F)(F)F)[nH]1
InChIInChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)4-2-1-3-5(14)13-4/h1-3H,(H,13,14)
InChIKeyUUEDPMIVCSMVTI-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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Related Compounds

2(1H)-Pyridinone, 6-(trifluoromethyl)-
CID 10154195
6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
1H-Pyridin-2-one, 6-ethyl-
CID 182320
Methylene-6-pyridone
CID 91287573
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
6-(Difluoromethyl)pyridin-2(1H)-one
CID 10441812
4,6-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13148079
5-Methyl-6-(trifluoromethyl)pyridin-2-ol
CID 58172802
6-(2-Fluoropropan-2-yl)pyridin-2-ol
CID 59928343
CID 69343431
CID 69343431
6-(1,1-Difluoroethyl)pyridin-2-ol
CID 84764065

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one (CID 10013443) is 6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one is O=c1cccc(C(F)(F)C(F)(F)F)[nH]1.
What is the InChIKey of 6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one?
The InChIKey is UUEDPMIVCSMVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)4-2-1-3-5(14)13-4/h1-3H,(H,13,14).
What are the key properties of 6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one?
6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-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 6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 10013443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).