2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione

C17H14F2N2O3 — CID 67508739

IUPAC2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione
SMILESCC(F)(F)COc1ccc(CN2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C17H14F2N2O3/c1-17(18,19)10-24-14-7-6-11(8-20-14)9-21-15(22)12-4-2-3-5-13(12)16(21)23/h2-8H,9-10H2,1H3
InChIKeyPPKWLWCPPKDMGG-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.91
Rot. Bonds5

About 2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione

2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 67508739) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID67508739
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione
SMILESCC(F)(F)COc1ccc(CN2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C17H14F2N2O3/c1-17(18,19)10-24-14-7-6-11(8-20-14)9-21-15(22)12-4-2-3-5-13(12)16(21)23/h2-8H,9-10H2,1H3
InChIKeyPPKWLWCPPKDMGG-UHFFFAOYSA-N
XLogP2.91
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione (CID 67508739) is 2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione is CC(F)(F)COc1ccc(CN2C(=O)c3ccccc3C2=O)cn1.
What is the InChIKey of 2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is PPKWLWCPPKDMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-17(18,19)10-24-14-7-6-11(8-20-14)9-21-15(22)12-4-2-3-5-13(12)16(21)23/h2-8H,9-10H2,1H3.
What are the key properties of 2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione?
2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 332.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 67508739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).