3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one

C11H13F4NO2 — CID 91651237

IUPAC3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
SMILESCc1cccn(CCOCC(F)(F)C(F)F)c1=O
InChIInChI=1S/C11H13F4NO2/c1-8-3-2-4-16(9(8)17)5-6-18-7-11(14,15)10(12)13/h2-4,10H,5-7H2,1H3
InChIKeyCRFAISAEFXYSIJ-UHFFFAOYSA-N
MW267.22 g/mol
LogP2.07
Rot. Bonds6

About 3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one

3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one (PubChem CID 91651237) has the molecular formula C11H13F4NO2 and a molecular weight of 267.22 g/mol. Its IUPAC name is 3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
PubChem CID91651237
Molecular FormulaC11H13F4NO2
Molecular Weight267.22 g/mol
Exact Mass267.09
IUPAC Name3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
SMILESCc1cccn(CCOCC(F)(F)C(F)F)c1=O
InChIInChI=1S/C11H13F4NO2/c1-8-3-2-4-16(9(8)17)5-6-18-7-11(14,15)10(12)13/h2-4,10H,5-7H2,1H3
InChIKeyCRFAISAEFXYSIJ-UHFFFAOYSA-N
XLogP2.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one (CID 91651237) is 3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one is Cc1cccn(CCOCC(F)(F)C(F)F)c1=O.
What is the InChIKey of 3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one?
The InChIKey is CRFAISAEFXYSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO2/c1-8-3-2-4-16(9(8)17)5-6-18-7-11(14,15)10(12)13/h2-4,10H,5-7H2,1H3.
What are the key properties of 3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one?
3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one has a molecular weight of 267.22 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 91651237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).