4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione

C10H7FN2O2 — CID 175292798

IUPAC4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione
SMILESO=C1NNC(=O)C1=C(F)c1ccccc1
InChIInChI=1S/C10H7FN2O2/c11-8(6-4-2-1-3-5-6)7-9(14)12-13-10(7)15/h1-5H,(H,12,14)(H,13,15)
InChIKeyVBGTVVNYNOEOQO-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.53
Rot. Bonds1

About 4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione

4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione (PubChem CID 175292798) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione
PubChem CID175292798
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione
SMILESO=C1NNC(=O)C1=C(F)c1ccccc1
InChIInChI=1S/C10H7FN2O2/c11-8(6-4-2-1-3-5-6)7-9(14)12-13-10(7)15/h1-5H,(H,12,14)(H,13,15)
InChIKeyVBGTVVNYNOEOQO-UHFFFAOYSA-N
XLogP0.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', '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

benzoyl fluoride;tetrahydrofluoride
CID 139728839
benzoic acid;zirconium
CID 173089080
benzoic acid tritetrafluoroborate
CID 173117311
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
CID 88599219
CID 88599219
6-amino-5-benzoyl-1H-pyrimidin-2-one
CID 19842463
(4-fluorophenyl)-phenylmethanone
CID 161464622
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione bromide
CID 86754555
diphenylmethanone
CID 3102
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione?
The IUPAC name of 4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione (CID 175292798) is 4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione.
What is the SMILES notation for 4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione?
The canonical SMILES for 4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione is O=C1NNC(=O)C1=C(F)c1ccccc1.
What is the InChIKey of 4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione?
The InChIKey is VBGTVVNYNOEOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-8(6-4-2-1-3-5-6)7-9(14)12-13-10(7)15/h1-5H,(H,12,14)(H,13,15).
What are the key properties of 4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione?
4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione has a molecular weight of 206.18 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(phenyl)methylidene]pyrazolidine-3,5-dione is sourced from PubChem (CID 175292798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).