4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione

C14H15F2NO2 — CID 79320367

IUPAC4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1c(F)cccc1F
InChIInChI=1S/C14H15F2NO2/c1-7(2)12-8(6-11(18)17-14(12)19)13-9(15)4-3-5-10(13)16/h3-5,7-8,12H,6H2,1-2H3,(H,17,18,19)
InChIKeyJDVBQMVONNTQNA-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.37
Rot. Bonds2

About 4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione

4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 79320367) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
PubChem CID79320367
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1c(F)cccc1F
InChIInChI=1S/C14H15F2NO2/c1-7(2)12-8(6-11(18)17-14(12)19)13-9(15)4-3-5-10(13)16/h3-5,7-8,12H,6H2,1-2H3,(H,17,18,19)
InChIKeyJDVBQMVONNTQNA-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione (CID 79320367) is 4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione is CC(C)C1C(=O)NC(=O)CC1c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is JDVBQMVONNTQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-7(2)12-8(6-11(18)17-14(12)19)13-9(15)4-3-5-10(13)16/h3-5,7-8,12H,6H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione?
4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 267.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 79320367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).