2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane

C13H15FO — CID 58555649

IUPAC2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane
SMILESC/C=C/C1CCC(c2ccc(F)cc2)O1
InChIInChI=1S/C13H15FO/c1-2-3-12-8-9-13(15-12)10-4-6-11(14)7-5-10/h2-7,12-13H,8-9H2,1H3/b3-2+
InChIKeyPBJMQRDJTKENDT-NSCUHMNNSA-N
MW206.26 g/mol
LogP3.62
Rot. Bonds2

About 2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane

2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane (PubChem CID 58555649) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane
PubChem CID58555649
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane
SMILESC/C=C/C1CCC(c2ccc(F)cc2)O1
InChIInChI=1S/C13H15FO/c1-2-3-12-8-9-13(15-12)10-4-6-11(14)7-5-10/h2-7,12-13H,8-9H2,1H3/b3-2+
InChIKeyPBJMQRDJTKENDT-NSCUHMNNSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane?
The IUPAC name of 2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane (CID 58555649) is 2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane is C/C=C/C1CCC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane?
The InChIKey is PBJMQRDJTKENDT-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H15FO/c1-2-3-12-8-9-13(15-12)10-4-6-11(14)7-5-10/h2-7,12-13H,8-9H2,1H3/b3-2+.
What are the key properties of 2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane?
2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane has a molecular weight of 206.26 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(E)-prop-1-enyl]oxolane is sourced from PubChem (CID 58555649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).