5,7-difluoro-3H-indene-1,2-dione

C9H4F2O2 — CID 68850556

IUPAC5,7-difluoro-3H-indene-1,2-dione
SMILESO=C1Cc2cc(F)cc(F)c2C1=O
InChIInChI=1S/C9H4F2O2/c10-5-1-4-2-7(12)9(13)8(4)6(11)3-5/h1,3H,2H2
InChIKeyGDNODXZYIRMHAO-UHFFFAOYSA-N
MW182.12 g/mol
LogP1.27
Rot. Bonds

About 5,7-difluoro-3H-indene-1,2-dione

5,7-difluoro-3H-indene-1,2-dione (PubChem CID 68850556) has the molecular formula C9H4F2O2 and a molecular weight of 182.12 g/mol. Its IUPAC name is 5,7-difluoro-3H-indene-1,2-dione.

Molecular Properties

Compound Name5,7-difluoro-3H-indene-1,2-dione
PubChem CID68850556
Molecular FormulaC9H4F2O2
Molecular Weight182.12 g/mol
Exact Mass182.02
IUPAC Name5,7-difluoro-3H-indene-1,2-dione
SMILESO=C1Cc2cc(F)cc(F)c2C1=O
InChIInChI=1S/C9H4F2O2/c10-5-1-4-2-7(12)9(13)8(4)6(11)3-5/h1,3H,2H2
InChIKeyGDNODXZYIRMHAO-UHFFFAOYSA-N
XLogP1.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3H-indene-1,2-dione?
The IUPAC name of 5,7-difluoro-3H-indene-1,2-dione (CID 68850556) is 5,7-difluoro-3H-indene-1,2-dione.
What is the SMILES notation for 5,7-difluoro-3H-indene-1,2-dione?
The canonical SMILES for 5,7-difluoro-3H-indene-1,2-dione is O=C1Cc2cc(F)cc(F)c2C1=O.
What is the InChIKey of 5,7-difluoro-3H-indene-1,2-dione?
The InChIKey is GDNODXZYIRMHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2O2/c10-5-1-4-2-7(12)9(13)8(4)6(11)3-5/h1,3H,2H2.
What are the key properties of 5,7-difluoro-3H-indene-1,2-dione?
5,7-difluoro-3H-indene-1,2-dione has a molecular weight of 182.12 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3H-indene-1,2-dione is sourced from PubChem (CID 68850556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).