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

C12H11F2NO2 — CID 115525417

IUPAC4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CC(c2ccc(C(F)F)cc2)CC(=O)N1
InChIInChI=1S/C12H11F2NO2/c13-12(14)8-3-1-7(2-4-8)9-5-10(16)15-11(17)6-9/h1-4,9,12H,5-6H2,(H,15,16,17)
InChIKeyOTKDFWBTWYQPFN-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.14
Rot. Bonds2

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

4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione (PubChem CID 115525417) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione
PubChem CID115525417
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CC(c2ccc(C(F)F)cc2)CC(=O)N1
InChIInChI=1S/C12H11F2NO2/c13-12(14)8-3-1-7(2-4-8)9-5-10(16)15-11(17)6-9/h1-4,9,12H,5-6H2,(H,15,16,17)
InChIKeyOTKDFWBTWYQPFN-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.14
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-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione
CID 115525751
4-(4-nitrophenyl)piperidine-2,6-dione
CID 53426303
2-[4-(difluoromethyl)phenyl]-1,3-dioxolane
CID 138980395
5-(4-fluorophenyl)cyclohexane-1,3-dione
CID 730136
5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one
CID 115524016
2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one
CID 82999036
N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azetidine-1-sulfonamide
CID 138039109
4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione
CID 63156689
N-[4-(2,6-dioxopiperidin-4-yl)phenyl]azepane-1-sulfonamide
CID 154736424
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
5-(4-cyclopropylphenyl)cyclohexane-1,3-dione
CID 81339773
4-(3-ethylphenyl)piperidine-2,6-dione
CID 170001328

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione (CID 115525417) is 4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione is O=C1CC(c2ccc(C(F)F)cc2)CC(=O)N1.
What is the InChIKey of 4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione?
The InChIKey is OTKDFWBTWYQPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c13-12(14)8-3-1-7(2-4-8)9-5-10(16)15-11(17)6-9/h1-4,9,12H,5-6H2,(H,15,16,17).
What are the key properties of 4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione?
4-[4-(difluoromethyl)phenyl]piperidine-2,6-dione has a molecular weight of 239.22 g/mol, XLogP of 2.14, 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]piperidine-2,6-dione is sourced from PubChem (CID 115525417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).