4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one

C14H18FNO2 — CID 113389402

IUPAC4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one
SMILESCOc1cccc(F)c1C1(C)CC(=O)NC1(C)C
InChIInChI=1S/C14H18FNO2/c1-13(2)14(3,8-11(17)16-13)12-9(15)6-5-7-10(12)18-4/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyFFPIGJACDGSJHC-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.39
Rot. Bonds2

About 4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one

4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one (PubChem CID 113389402) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one
PubChem CID113389402
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one
SMILESCOc1cccc(F)c1C1(C)CC(=O)NC1(C)C
InChIInChI=1S/C14H18FNO2/c1-13(2)14(3,8-11(17)16-13)12-9(15)6-5-7-10(12)18-4/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyFFPIGJACDGSJHC-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone
CID 83808664
4-(2-fluoro-6-methoxybenzoyl)piperazine-2,6-dione
CID 66085710
7-fluoro-4-methoxy-3,3-dimethyl-1,2-dihydroindole
CID 81222524
1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
3-(2-fluoro-6-methoxyphenyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171961468
5-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 82126298
7-methoxy-2,2-dimethyl-1,3-dihydroindole
CID 84717961
8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one
CID 102357907
methyl 1-(2-fluoro-6-methoxyphenyl)-3-hydroxycyclobutane-1-carboxylate
CID 170913631
1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile
CID 158197915
2-(2-fluoro-6-methoxyphenyl)azetidine
CID 55282434

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one (CID 113389402) is 4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one is COc1cccc(F)c1C1(C)CC(=O)NC1(C)C.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one?
The InChIKey is FFPIGJACDGSJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-13(2)14(3,8-11(17)16-13)12-9(15)6-5-7-10(12)18-4/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one?
4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one has a molecular weight of 251.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 113389402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).