5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one

C13H16F4N2O — CID 176690583

IUPAC5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(CCN2CCC(F)C2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C13H16F4N2O/c1-18-7-9(2-4-19-5-3-10(14)8-19)11(6-12(18)20)13(15,16)17/h6-7,10H,2-5,8H2,1H3
InChIKeyOMXXJBVLLOTUSZ-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.99
Rot. Bonds3

About 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one

5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 176690583) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID176690583
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(CCN2CCC(F)C2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C13H16F4N2O/c1-18-7-9(2-4-19-5-3-10(14)8-19)11(6-12(18)20)13(15,16)17/h6-7,10H,2-5,8H2,1H3
InChIKeyOMXXJBVLLOTUSZ-UHFFFAOYSA-N
XLogP1.99
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one (CID 176690583) is 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one is Cn1cc(CCN2CCC(F)C2)c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is OMXXJBVLLOTUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-18-7-9(2-4-19-5-3-10(14)8-19)11(6-12(18)20)13(15,16)17/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one?
5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 292.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 176690583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).