2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane

C16H12F2O — CID 88652027

IUPAC2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane
SMILESFc1ccc(C=CC2(c3ccc(F)cc3)CO2)cc1
InChIInChI=1S/C16H12F2O/c17-14-5-1-12(2-6-14)9-10-16(11-19-16)13-3-7-15(18)8-4-13/h1-10H,11H2
InChIKeyHRHCFXPQMLDQLX-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.90
Rot. Bonds3

About 2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane

2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane (PubChem CID 88652027) has the molecular formula C16H12F2O and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane
PubChem CID88652027
Molecular FormulaC16H12F2O
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane
SMILESFc1ccc(C=CC2(c3ccc(F)cc3)CO2)cc1
InChIInChI=1S/C16H12F2O/c17-14-5-1-12(2-6-14)9-10-16(11-19-16)13-3-7-15(18)8-4-13/h1-10H,11H2
InChIKeyHRHCFXPQMLDQLX-UHFFFAOYSA-N
XLogP3.90
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
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CID 45271766
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(E)-2-(4-fluorophenyl)ethenesulfonamide
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(2S)-2-(4-fluorophenyl)-2-methyloxetane
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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane?
The IUPAC name of 2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane (CID 88652027) is 2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane?
The canonical SMILES for 2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane is Fc1ccc(C=CC2(c3ccc(F)cc3)CO2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane?
The InChIKey is HRHCFXPQMLDQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O/c17-14-5-1-12(2-6-14)9-10-16(11-19-16)13-3-7-15(18)8-4-13/h1-10H,11H2.
What are the key properties of 2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane?
2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane has a molecular weight of 258.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethenyl]oxirane is sourced from PubChem (CID 88652027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).