3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane

C12H12F2O — CID 166295319

IUPAC3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane
SMILESFc1cc(F)cc(/C=C/C2CCOC2)c1
InChIInChI=1S/C12H12F2O/c13-11-5-10(6-12(14)7-11)2-1-9-3-4-15-8-9/h1-2,5-7,9H,3-4,8H2/b2-1+
InChIKeyXTSPZIDZKOXOBH-OWOJBTEDSA-N
MW210.22 g/mol
LogP3.01
Rot. Bonds2

About 3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane

3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane (PubChem CID 166295319) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is 3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane.

Molecular Properties

Compound Name3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane
PubChem CID166295319
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane
SMILESFc1cc(F)cc(/C=C/C2CCOC2)c1
InChIInChI=1S/C12H12F2O/c13-11-5-10(6-12(14)7-11)2-1-9-3-4-15-8-9/h1-2,5-7,9H,3-4,8H2/b2-1+
InChIKeyXTSPZIDZKOXOBH-OWOJBTEDSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane?
The IUPAC name of 3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane (CID 166295319) is 3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane.
What is the SMILES notation for 3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane?
The canonical SMILES for 3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane is Fc1cc(F)cc(/C=C/C2CCOC2)c1.
What is the InChIKey of 3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane?
The InChIKey is XTSPZIDZKOXOBH-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H12F2O/c13-11-5-10(6-12(14)7-11)2-1-9-3-4-15-8-9/h1-2,5-7,9H,3-4,8H2/b2-1+.
What are the key properties of 3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane?
3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane has a molecular weight of 210.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3,5-difluorophenyl)ethenyl]oxolane is sourced from PubChem (CID 166295319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).