3-(2-fluorophenyl)-3-methyloxolane-2,5-dione

C11H9FO3 — CID 43134872

IUPAC3-(2-fluorophenyl)-3-methyloxolane-2,5-dione
SMILESCC1(c2ccccc2F)CC(=O)OC1=O
InChIInChI=1S/C11H9FO3/c1-11(6-9(13)15-10(11)14)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3
InChIKeySNCTVLGOTQGJKJ-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.56
Rot. Bonds1

About 3-(2-fluorophenyl)-3-methyloxolane-2,5-dione

3-(2-fluorophenyl)-3-methyloxolane-2,5-dione (PubChem CID 43134872) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-methyloxolane-2,5-dione
PubChem CID43134872
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name3-(2-fluorophenyl)-3-methyloxolane-2,5-dione
SMILESCC1(c2ccccc2F)CC(=O)OC1=O
InChIInChI=1S/C11H9FO3/c1-11(6-9(13)15-10(11)14)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3
InChIKeySNCTVLGOTQGJKJ-UHFFFAOYSA-N
XLogP1.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-methyloxolane-2,5-dione?
The IUPAC name of 3-(2-fluorophenyl)-3-methyloxolane-2,5-dione (CID 43134872) is 3-(2-fluorophenyl)-3-methyloxolane-2,5-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-3-methyloxolane-2,5-dione?
The canonical SMILES for 3-(2-fluorophenyl)-3-methyloxolane-2,5-dione is CC1(c2ccccc2F)CC(=O)OC1=O.
What is the InChIKey of 3-(2-fluorophenyl)-3-methyloxolane-2,5-dione?
The InChIKey is SNCTVLGOTQGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-11(6-9(13)15-10(11)14)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-methyloxolane-2,5-dione?
3-(2-fluorophenyl)-3-methyloxolane-2,5-dione has a molecular weight of 208.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-methyloxolane-2,5-dione is sourced from PubChem (CID 43134872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).