(4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one

C15H17FO2 — CID 5293940

IUPAC(4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)/C(=C\c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H17FO2/c1-14(2)12(13(17)15(3,4)18-14)9-10-5-7-11(16)8-6-10/h5-9H,1-4H3/b12-9-
InChIKeyFVOWCLBWRBFLRJ-XFXZXTDPSA-N
MW248.30 g/mol
LogP3.37
Rot. Bonds1

About (4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one

(4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 5293940) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is (4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name(4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID5293940
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name(4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)/C(=C\c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H17FO2/c1-14(2)12(13(17)15(3,4)18-14)9-10-5-7-11(16)8-6-10/h5-9H,1-4H3/b12-9-
InChIKeyFVOWCLBWRBFLRJ-XFXZXTDPSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
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 (4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of (4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one (CID 5293940) is (4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for (4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for (4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)/C(=C\c2ccc(F)cc2)C1=O.
What is the InChIKey of (4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is FVOWCLBWRBFLRJ-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H17FO2/c1-14(2)12(13(17)15(3,4)18-14)9-10-5-7-11(16)8-6-10/h5-9H,1-4H3/b12-9-.
What are the key properties of (4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one?
(4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 248.30 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-fluorophenyl)methylidene]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 5293940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).