4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione

C9H13F2NO2 — CID 169028206

IUPAC4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)C(F)(F)C1CC(=O)NC(=O)C1
InChIInChI=1S/C9H13F2NO2/c1-5(2)9(10,11)6-3-7(13)12-8(14)4-6/h5-6H,3-4H2,1-2H3,(H,12,13,14)
InChIKeySLILCEVTLFLCTP-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.33
Rot. Bonds2

About 4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione

4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione (PubChem CID 169028206) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione
PubChem CID169028206
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)C(F)(F)C1CC(=O)NC(=O)C1
InChIInChI=1S/C9H13F2NO2/c1-5(2)9(10,11)6-3-7(13)12-8(14)4-6/h5-6H,3-4H2,1-2H3,(H,12,13,14)
InChIKeySLILCEVTLFLCTP-UHFFFAOYSA-N
XLogP1.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.33
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-(propan-2-ylamino)piperidine-2,6-dione
CID 147521097
4-(1,1-difluoro-2-methylpropyl)-1-methylpiperidine
CID 116841502
4-bromopiperidine-2,6-dione
CID 22351194
4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione
CID 58710780
6-tert-butyl-1,3-diazinane-2,4-dione
CID 78207120
4,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66108263
3-(2-methylpropanoyl)pyrrolidine-2,5-dione
CID 68572615
(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one
CID 145215661
5-propan-2-yl-10-(trifluoromethyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79320266
1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one
CID 66108537
4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one
CID 68860706
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione (CID 169028206) is 4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione is CC(C)C(F)(F)C1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione?
The InChIKey is SLILCEVTLFLCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-5(2)9(10,11)6-3-7(13)12-8(14)4-6/h5-6H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione?
4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione has a molecular weight of 205.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 169028206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).