3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane

C13H14F2O2 — CID 165143159

IUPAC3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane
SMILESC=CC(F)(F)c1cc(C)ccc1OC1COC1
InChIInChI=1S/C13H14F2O2/c1-3-13(14,15)11-6-9(2)4-5-12(11)17-10-7-16-8-10/h3-6,10H,1,7-8H2,2H3
InChIKeyBJGLZVYZIXHOKZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.05
Rot. Bonds4

About 3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane

3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane (PubChem CID 165143159) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane.

Molecular Properties

Compound Name3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane
PubChem CID165143159
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane
SMILESC=CC(F)(F)c1cc(C)ccc1OC1COC1
InChIInChI=1S/C13H14F2O2/c1-3-13(14,15)11-6-9(2)4-5-12(11)17-10-7-16-8-10/h3-6,10H,1,7-8H2,2H3
InChIKeyBJGLZVYZIXHOKZ-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane?
The IUPAC name of 3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane (CID 165143159) is 3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane.
What is the SMILES notation for 3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane?
The canonical SMILES for 3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane is C=CC(F)(F)c1cc(C)ccc1OC1COC1.
What is the InChIKey of 3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane?
The InChIKey is BJGLZVYZIXHOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c1-3-13(14,15)11-6-9(2)4-5-12(11)17-10-7-16-8-10/h3-6,10H,1,7-8H2,2H3.
What are the key properties of 3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane?
3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane has a molecular weight of 240.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1-difluoroprop-2-enyl)-4-methylphenoxy]oxetane is sourced from PubChem (CID 165143159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).