2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane

C12H12F2O2 — CID 135033288

IUPAC2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane
SMILESFc1ccc(/C=C/CC2OCCO2)c(F)c1
InChIInChI=1S/C12H12F2O2/c13-10-5-4-9(11(14)8-10)2-1-3-12-15-6-7-16-12/h1-2,4-5,8,12H,3,6-7H2/b2-1+
InChIKeyIFHZFBJQOYJGFA-OWOJBTEDSA-N
MW226.22 g/mol
LogP2.74
Rot. Bonds3

About 2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane

2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane (PubChem CID 135033288) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane
PubChem CID135033288
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane
SMILESFc1ccc(/C=C/CC2OCCO2)c(F)c1
InChIInChI=1S/C12H12F2O2/c13-10-5-4-9(11(14)8-10)2-1-3-12-15-6-7-16-12/h1-2,4-5,8,12H,3,6-7H2/b2-1+
InChIKeyIFHZFBJQOYJGFA-OWOJBTEDSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cinnamaldehyde ethylene glycol acetal
CID 6284401
2-Benzyl-1,3-dioxolane
CID 7562
1,3-Dioxolane, 4-methyl-2-(2-phenylethenyl)-
CID 101137
Cinnamaldehyde propyleneglycol acetal
CID 6017272
1,3-Dioxolane, 2-(2-phenylethenyl)-
CID 21870
2-Phenethyldioxolane
CID 64811
2-(4-Fluorophenyl)-1,3-dioxolane
CID 5074752
2-(3,4-Difluorophenyl)-1,3-dioxolane
CID 24721640
2-(2-Fluorophenyl)-1,3-dioxolane
CID 11286683
2-(3-Fluorophenyl)-1,3-dioxolane
CID 22012609
2-(2,3,4-Trifluorophenyl)-1,3-dioxolane
CID 86727231
(4R)-4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol
CID 25104829

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane (CID 135033288) is 2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane is Fc1ccc(/C=C/CC2OCCO2)c(F)c1.
What is the InChIKey of 2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane?
The InChIKey is IFHZFBJQOYJGFA-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-10-5-4-9(11(14)8-10)2-1-3-12-15-6-7-16-12/h1-2,4-5,8,12H,3,6-7H2/b2-1+.
What are the key properties of 2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane?
2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane has a molecular weight of 226.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dioxolane is sourced from PubChem (CID 135033288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).