2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one

C13H11FO2 — CID 175135941

IUPAC2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one
SMILESO=C1C(=C(F)C2CC2)C(O)c2ccccc21
InChIInChI=1S/C13H11FO2/c14-11(7-5-6-7)10-12(15)8-3-1-2-4-9(8)13(10)16/h1-4,7,12,15H,5-6H2
InChIKeyHJSRECASFLBUQE-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.55
Rot. Bonds1

About 2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one

2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one (PubChem CID 175135941) has the molecular formula C13H11FO2 and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one.

Molecular Properties

Compound Name2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one
PubChem CID175135941
Molecular FormulaC13H11FO2
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Name2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one
SMILESO=C1C(=C(F)C2CC2)C(O)c2ccccc21
InChIInChI=1S/C13H11FO2/c14-11(7-5-6-7)10-12(15)8-3-1-2-4-9(8)13(10)16/h1-4,7,12,15H,5-6H2
InChIKeyHJSRECASFLBUQE-UHFFFAOYSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.55
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 2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one?
The IUPAC name of 2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one (CID 175135941) is 2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one.
What is the SMILES notation for 2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one?
The canonical SMILES for 2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one is O=C1C(=C(F)C2CC2)C(O)c2ccccc21.
What is the InChIKey of 2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one?
The InChIKey is HJSRECASFLBUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2/c14-11(7-5-6-7)10-12(15)8-3-1-2-4-9(8)13(10)16/h1-4,7,12,15H,5-6H2.
What are the key properties of 2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one?
2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one has a molecular weight of 218.23 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(fluoro)methylidene]-3-hydroxy-3H-inden-1-one is sourced from PubChem (CID 175135941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).