2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane

C12H13FO2 — CID 162406650

IUPAC2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane
SMILESFc1cccc(/C=C/C2COCCO2)c1
InChIInChI=1S/C12H13FO2/c13-11-3-1-2-10(8-11)4-5-12-9-14-6-7-15-12/h1-5,8,12H,6-7,9H2/b5-4+
InChIKeyHKOSMQWYHHPCOJ-SNAWJCMRSA-N
MW208.23 g/mol
LogP2.25
Rot. Bonds2

About 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane

2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane (PubChem CID 162406650) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane
PubChem CID162406650
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane
SMILESFc1cccc(/C=C/C2COCCO2)c1
InChIInChI=1S/C12H13FO2/c13-11-3-1-2-10(8-11)4-5-12-9-14-6-7-15-12/h1-5,8,12H,6-7,9H2/b5-4+
InChIKeyHKOSMQWYHHPCOJ-SNAWJCMRSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dihydropyran-6-one
CID 137648168
2-[(E)-2-(4-fluorophenyl)ethenyl]oxolane
CID 102418770
(2S)-2-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dihydropyran-6-one
CID 92020208
2-[2-(2-Fluorophenyl)ethenyl]oxolane
CID 85860955
3-p-Fluorophenyl-1-methoxyprop-2-ene
CID 129826032
2-[2-(3-Fluorophenyl)ethenyl]oxolane
CID 134847394
4-(4-fluorophenyl)-3,6-dihydro-2H-pyran
CID 141365420
3-Ethoxy-hexa-1,5-dienyl-benzene
CID 595191
2-[(E)-2-phenylethenyl]oxirane
CID 10909705
[(1E)-3-methoxy-1-butenyl]benzene
CID 11030150
(e)-6-Styryl-tetrahydropyran
CID 11805491
Z-2,3-Dimethoxypropenylbenzene
CID 6440274

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane?
The IUPAC name of 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane (CID 162406650) is 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane.
What is the SMILES notation for 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane?
The canonical SMILES for 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane is Fc1cccc(/C=C/C2COCCO2)c1.
What is the InChIKey of 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane?
The InChIKey is HKOSMQWYHHPCOJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H13FO2/c13-11-3-1-2-10(8-11)4-5-12-9-14-6-7-15-12/h1-5,8,12H,6-7,9H2/b5-4+.
What are the key properties of 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane?
2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane has a molecular weight of 208.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-fluorophenyl)ethenyl]-1,4-dioxane is sourced from PubChem (CID 162406650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).