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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Related Compounds

5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one
CID 146182789
5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one
CID 105445630
8-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]naphthalen-1-ol
CID 178091318
4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine
CID 71029929
1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-fluoroazetidine
CID 164559449
5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-one
CID 171825722
2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-methyl-1,3-oxazole
CID 151183020
1-[2-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)ethyl]-3-fluoropyrrolidine
CID 22104543
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 178155724
4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384991
5-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126890921

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).