2-(3,5-difluorophenoxy)isoindole-1,3-dione

C14H7F2NO3 — CID 68961324

IUPAC2-(3,5-difluorophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H7F2NO3/c15-8-5-9(16)7-10(6-8)20-17-13(18)11-3-1-2-4-12(11)14(17)19/h1-7H
InChIKeyTWYXGBGCHHXINW-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.55
Rot. Bonds2

About 2-(3,5-difluorophenoxy)isoindole-1,3-dione

2-(3,5-difluorophenoxy)isoindole-1,3-dione (PubChem CID 68961324) has the molecular formula C14H7F2NO3 and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)isoindole-1,3-dione
PubChem CID68961324
Molecular FormulaC14H7F2NO3
Molecular Weight275.21 g/mol
Exact Mass275.04
IUPAC Name2-(3,5-difluorophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H7F2NO3/c15-8-5-9(16)7-10(6-8)20-17-13(18)11-3-1-2-4-12(11)14(17)19/h1-7H
InChIKeyTWYXGBGCHHXINW-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,5-difluorophenoxy)isoindole-1,3-dione?
The IUPAC name of 2-(3,5-difluorophenoxy)isoindole-1,3-dione (CID 68961324) is 2-(3,5-difluorophenoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(3,5-difluorophenoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(3,5-difluorophenoxy)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Oc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)isoindole-1,3-dione?
The InChIKey is TWYXGBGCHHXINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO3/c15-8-5-9(16)7-10(6-8)20-17-13(18)11-3-1-2-4-12(11)14(17)19/h1-7H.
What are the key properties of 2-(3,5-difluorophenoxy)isoindole-1,3-dione?
2-(3,5-difluorophenoxy)isoindole-1,3-dione has a molecular weight of 275.21 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)isoindole-1,3-dione is sourced from PubChem (CID 68961324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).