4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione

C13H13F2NO2 — CID 115525751

IUPAC4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione
SMILESCC1C(=O)NC(=O)CC1c1ccc(C(F)F)cc1
InChIInChI=1S/C13H13F2NO2/c1-7-10(6-11(17)16-13(7)18)8-2-4-9(5-3-8)12(14)15/h2-5,7,10,12H,6H2,1H3,(H,16,17,18)
InChIKeyYCNMRCJDJWEMLL-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.39
Rot. Bonds2

About 4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione

4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione (PubChem CID 115525751) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione
PubChem CID115525751
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione
SMILESCC1C(=O)NC(=O)CC1c1ccc(C(F)F)cc1
InChIInChI=1S/C13H13F2NO2/c1-7-10(6-11(17)16-13(7)18)8-2-4-9(5-3-8)12(14)15/h2-5,7,10,12H,6H2,1H3,(H,16,17,18)
InChIKeyYCNMRCJDJWEMLL-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione
CID 79318100
4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione
CID 115525417
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylpiperidine-2,6-dione
CID 79317475
4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
CID 79317793
3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione
CID 114058156
ethyl (3S,4R)-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
CID 11391819
3-methyl-4-(1-phenylethyl)piperidine-2,6-dione
CID 79317878
4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione
CID 79320357
4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310088
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320168
3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
CID 79310291

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione?
The IUPAC name of 4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione (CID 115525751) is 4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione?
The canonical SMILES for 4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione is CC1C(=O)NC(=O)CC1c1ccc(C(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione?
The InChIKey is YCNMRCJDJWEMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c1-7-10(6-11(17)16-13(7)18)8-2-4-9(5-3-8)12(14)15/h2-5,7,10,12H,6H2,1H3,(H,16,17,18).
What are the key properties of 4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione?
4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione has a molecular weight of 253.25 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-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 115525751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).