2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione

C16H8F2O2 — CID 47241310

IUPAC2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2cc(F)ccc2F)C(=O)c2ccccc21
InChIInChI=1S/C16H8F2O2/c17-10-5-6-14(18)9(7-10)8-13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8H
InChIKeyJXCTWKVOJJMLTF-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.43
Rot. Bonds1

About 2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione

2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione (PubChem CID 47241310) has the molecular formula C16H8F2O2 and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione
PubChem CID47241310
Molecular FormulaC16H8F2O2
Molecular Weight270.23 g/mol
Exact Mass270.05
IUPAC Name2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2cc(F)ccc2F)C(=O)c2ccccc21
InChIInChI=1S/C16H8F2O2/c17-10-5-6-14(18)9(7-10)8-13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8H
InChIKeyJXCTWKVOJJMLTF-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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Related Compounds

2-[(2,4-difluorophenyl)methylidene]indene-1,3-dione
CID 47102902
(2E)-2-[(2,5-difluorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 47241323
3-[(2,5-difluorophenyl)methylidene]-6-fluoro-1H-indol-2-one
CID 66640531
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]indene-1,3-dione
CID 629164
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
2-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]indene-1,3-dione
CID 1329735
2-[2-[(1,3-dioxoinden-2-ylidene)methyl]phenoxy]acetic acid
CID 706218
(4E)-4-[(2,5-difluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 96893973
(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one
CID 2387034
2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
CID 5015439
2-[(4Z)-4-[(5-bromo-2-fluorophenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]acetic acid
CID 9367972
2,5-difluorothiobenzaldehyde
CID 91234855

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione?
The IUPAC name of 2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione (CID 47241310) is 2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione?
The canonical SMILES for 2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione is O=C1C(=Cc2cc(F)ccc2F)C(=O)c2ccccc21.
What is the InChIKey of 2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione?
The InChIKey is JXCTWKVOJJMLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2O2/c17-10-5-6-14(18)9(7-10)8-13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8H.
What are the key properties of 2-[(2,5-difluorophenyl)methylidene]indene-1,3-dione?
2-[(2,5-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-[(2,5-difluorophenyl)methylidene]indene-1,3-dione is sourced from PubChem (CID 47241310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).