(2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one

C16H10F2O2 — CID 175138902

IUPAC(2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one
SMILESO=C1/C(=C(/F)c2ccc(F)cc2)C(O)c2ccccc21
InChIInChI=1S/C16H10F2O2/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8,15,19H/b14-13+
InChIKeyHFRSYGXCMUDNBG-BUHFOSPRSA-N
MW272.25 g/mol
LogP3.44
Rot. Bonds1

About (2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one

(2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one (PubChem CID 175138902) has the molecular formula C16H10F2O2 and a molecular weight of 272.25 g/mol. Its IUPAC name is (2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one
PubChem CID175138902
Molecular FormulaC16H10F2O2
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name(2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one
SMILESO=C1/C(=C(/F)c2ccc(F)cc2)C(O)c2ccccc21
InChIInChI=1S/C16H10F2O2/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8,15,19H/b14-13+
InChIKeyHFRSYGXCMUDNBG-BUHFOSPRSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one?
The IUPAC name of (2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one (CID 175138902) is (2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one.
What is the SMILES notation for (2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one?
The canonical SMILES for (2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one is O=C1/C(=C(/F)c2ccc(F)cc2)C(O)c2ccccc21.
What is the InChIKey of (2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one?
The InChIKey is HFRSYGXCMUDNBG-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H10F2O2/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8,15,19H/b14-13+.
What are the key properties of (2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one?
(2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one has a molecular weight of 272.25 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[fluoro-(4-fluorophenyl)methylidene]-3-hydroxy-3H-inden-1-one is sourced from PubChem (CID 175138902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).