1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione

C14H13F2NO3 — CID 79505964

IUPAC1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(CC(=O)c2c(F)cccc2F)C(=O)C1
InChIInChI=1S/C14H13F2NO3/c1-8-5-12(19)17(13(20)6-8)7-11(18)14-9(15)3-2-4-10(14)16/h2-4,8H,5-7H2,1H3
InChIKeyBAPZXEONTHEIKU-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.93
Rot. Bonds3

About 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione

1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione (PubChem CID 79505964) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
PubChem CID79505964
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(CC(=O)c2c(F)cccc2F)C(=O)C1
InChIInChI=1S/C14H13F2NO3/c1-8-5-12(19)17(13(20)6-8)7-11(18)14-9(15)3-2-4-10(14)16/h2-4,8H,5-7H2,1H3
InChIKeyBAPZXEONTHEIKU-UHFFFAOYSA-N
XLogP1.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione (CID 79505964) is 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N(CC(=O)c2c(F)cccc2F)C(=O)C1.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
The InChIKey is BAPZXEONTHEIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3/c1-8-5-12(19)17(13(20)6-8)7-11(18)14-9(15)3-2-4-10(14)16/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione?
1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione has a molecular weight of 281.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79505964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).