(3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one

C7H9FO2 — CID 24977002

IUPAC(3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)/C1=C/F
InChIInChI=1S/C7H9FO2/c1-7(2)4-10-6(9)5(7)3-8/h3H,4H2,1-2H3/b5-3-
InChIKeyUYOOPBKGHPUBRS-HYXAFXHYSA-N
MW144.15 g/mol
LogP1.42
Rot. Bonds

About (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one

(3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one (PubChem CID 24977002) has the molecular formula C7H9FO2 and a molecular weight of 144.15 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one
PubChem CID24977002
Molecular FormulaC7H9FO2
Molecular Weight144.15 g/mol
Exact Mass144.06
IUPAC Name(3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)/C1=C/F
InChIInChI=1S/C7H9FO2/c1-7(2)4-10-6(9)5(7)3-8/h3H,4H2,1-2H3/b5-3-
InChIKeyUYOOPBKGHPUBRS-HYXAFXHYSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one?
The IUPAC name of (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one (CID 24977002) is (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one.
What is the SMILES notation for (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one?
The canonical SMILES for (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one is CC1(C)COC(=O)/C1=C/F.
What is the InChIKey of (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one?
The InChIKey is UYOOPBKGHPUBRS-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H9FO2/c1-7(2)4-10-6(9)5(7)3-8/h3H,4H2,1-2H3/b5-3-.
What are the key properties of (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one?
(3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one has a molecular weight of 144.15 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 24977002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).