1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione

C12H11F2NO2 — CID 79515942

IUPAC1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione
SMILESO=C1CCN(Cc2ccc(F)c(F)c2)C(=O)C1
InChIInChI=1S/C12H11F2NO2/c13-10-2-1-8(5-11(10)14)7-15-4-3-9(16)6-12(15)17/h1-2,5H,3-4,6-7H2
InChIKeyMUNJQKPGNPDMOP-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.66
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione

1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione (PubChem CID 79515942) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione
PubChem CID79515942
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione
SMILESO=C1CCN(Cc2ccc(F)c(F)c2)C(=O)C1
InChIInChI=1S/C12H11F2NO2/c13-10-2-1-8(5-11(10)14)7-15-4-3-9(16)6-12(15)17/h1-2,5H,3-4,6-7H2
InChIKeyMUNJQKPGNPDMOP-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]piperidine-2,4-dione
CID 79516488
1-[(4-ethylphenyl)methyl]piperidine-2,4-dione
CID 106899915
1-[(3-iodophenyl)methyl]piperidine-2,4-dione
CID 71056983
1-[(3,4-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 82930342
1-[(3,4-difluorophenyl)methyl]-5-pyrrolidin-1-ylazepan-2-one
CID 126467604
1-[(3,4-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-5-one
CID 42366284
1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione
CID 130747006
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
1-[(3,4-difluorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64966667
1-[(3,4-difluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 82918485
1-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 82930055
2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoic acid
CID 106698788

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione (CID 79515942) is 1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione is O=C1CCN(Cc2ccc(F)c(F)c2)C(=O)C1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione?
The InChIKey is MUNJQKPGNPDMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c13-10-2-1-8(5-11(10)14)7-15-4-3-9(16)6-12(15)17/h1-2,5H,3-4,6-7H2.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione?
1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione has a molecular weight of 239.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione is sourced from PubChem (CID 79515942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).