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

C12H13FO2 — CID 102501401

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane
SMILESFc1ccc(/C=C/C2COCCO2)cc1
InChIInChI=1S/C12H13FO2/c13-11-4-1-10(2-5-11)3-6-12-9-14-7-8-15-12/h1-6,12H,7-9H2/b6-3+
InChIKeyDEEMXNSKBODOGR-ZZXKWVIFSA-N
MW208.23 g/mol
LogP2.25
Rot. Bonds2

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

2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane (PubChem CID 102501401) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane
PubChem CID102501401
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane
SMILESFc1ccc(/C=C/C2COCCO2)cc1
InChIInChI=1S/C12H13FO2/c13-11-4-1-10(2-5-11)3-6-12-9-14-7-8-15-12/h1-6,12H,7-9H2/b6-3+
InChIKeyDEEMXNSKBODOGR-ZZXKWVIFSA-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

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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-(4-fluorophenyl)ethenyl]-1,4-dioxane?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane (CID 102501401) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane is Fc1ccc(/C=C/C2COCCO2)cc1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane?
The InChIKey is DEEMXNSKBODOGR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H13FO2/c13-11-4-1-10(2-5-11)3-6-12-9-14-7-8-15-12/h1-6,12H,7-9H2/b6-3+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane?
2-[(E)-2-(4-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-(4-fluorophenyl)ethenyl]-1,4-dioxane is sourced from PubChem (CID 102501401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).