5-(4-fluorophenyl)-3-methylideneoxolan-2-one

C11H9FO2 — CID 11106191

IUPAC5-(4-fluorophenyl)-3-methylideneoxolan-2-one
SMILESC=C1CC(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C11H9FO2/c1-7-6-10(14-11(7)13)8-2-4-9(12)5-3-8/h2-5,10H,1,6H2
InChIKeyIEFYWLKUIUAKDJ-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.37
Rot. Bonds1

About 5-(4-fluorophenyl)-3-methylideneoxolan-2-one

5-(4-fluorophenyl)-3-methylideneoxolan-2-one (PubChem CID 11106191) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methylideneoxolan-2-one
PubChem CID11106191
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name5-(4-fluorophenyl)-3-methylideneoxolan-2-one
SMILESC=C1CC(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C11H9FO2/c1-7-6-10(14-11(7)13)8-2-4-9(12)5-3-8/h2-5,10H,1,6H2
InChIKeyIEFYWLKUIUAKDJ-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.37
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 5-(4-fluorophenyl)-3-methylideneoxolan-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-methylideneoxolan-2-one (CID 11106191) is 5-(4-fluorophenyl)-3-methylideneoxolan-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methylideneoxolan-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-methylideneoxolan-2-one is C=C1CC(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 5-(4-fluorophenyl)-3-methylideneoxolan-2-one?
The InChIKey is IEFYWLKUIUAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c1-7-6-10(14-11(7)13)8-2-4-9(12)5-3-8/h2-5,10H,1,6H2.
What are the key properties of 5-(4-fluorophenyl)-3-methylideneoxolan-2-one?
5-(4-fluorophenyl)-3-methylideneoxolan-2-one has a molecular weight of 192.19 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methylideneoxolan-2-one is sourced from PubChem (CID 11106191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).