2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione

C16H8F2O2 — CID 47102902

IUPAC2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc(F)cc2F)C(=O)c2ccccc21
InChIInChI=1S/C16H8F2O2/c17-10-6-5-9(14(18)8-10)7-13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8H
InChIKeyIALUYLBAUKFIOQ-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.43
Rot. Bonds1

About 2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione

2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione (PubChem CID 47102902) has the molecular formula C16H8F2O2 and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione
PubChem CID47102902
Molecular FormulaC16H8F2O2
Molecular Weight270.23 g/mol
Exact Mass270.05
IUPAC Name2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc(F)cc2F)C(=O)c2ccccc21
InChIInChI=1S/C16H8F2O2/c17-10-6-5-9(14(18)8-10)7-13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8H
InChIKeyIALUYLBAUKFIOQ-UHFFFAOYSA-N
XLogP3.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione?
The IUPAC name of 2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione (CID 47102902) is 2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione is O=C1C(=Cc2ccc(F)cc2F)C(=O)c2ccccc21.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione?
The InChIKey is IALUYLBAUKFIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2O2/c17-10-6-5-9(14(18)8-10)7-13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8H.
What are the key properties of 2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione?
2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione has a molecular weight of 270.23 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione is sourced from PubChem (CID 47102902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).