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

C13H13F3O2 — CID 162408232

IUPAC2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane
SMILESFC(F)(F)c1ccc(/C=C/C2COCCO2)cc1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)11-4-1-10(2-5-11)3-6-12-9-17-7-8-18-12/h1-6,12H,7-9H2/b6-3+
InChIKeyPKLOSUCCBDOUPN-ZZXKWVIFSA-N
MW258.24 g/mol
LogP3.13
Rot. Bonds2

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

2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane (PubChem CID 162408232) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane
PubChem CID162408232
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane
SMILESFC(F)(F)c1ccc(/C=C/C2COCCO2)cc1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)11-4-1-10(2-5-11)3-6-12-9-17-7-8-18-12/h1-6,12H,7-9H2/b6-3+
InChIKeyPKLOSUCCBDOUPN-ZZXKWVIFSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydropyran-6-one
CID 70694331
Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)-
CID 11402200
[(E)-3-(trifluoromethoxy)prop-1-enyl]benzene
CID 21696255
1-(3-Prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene
CID 10895184
1-[(E,2R)-4-[4-(trifluoromethyl)phenyl]but-3-en-2-yl]oxypropan-2-one
CID 11529153
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane
CID 11550489
(4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane
CID 15890704
[1-(Trifluoromethyl)vinyl](3-phenylallyl) ether
CID 102282204
2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dioxane
CID 102501401
1-[3-[(Z)-but-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene
CID 134882536
[(E)-3-(1-cyclohex-2-en-1-yl-2,2,2-trifluoroethoxy)prop-1-enyl]benzene
CID 134971813

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane?
The IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane (CID 162408232) is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane.
What is the SMILES notation for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane?
The canonical SMILES for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane is FC(F)(F)c1ccc(/C=C/C2COCCO2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane?
The InChIKey is PKLOSUCCBDOUPN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)11-4-1-10(2-5-11)3-6-12-9-17-7-8-18-12/h1-6,12H,7-9H2/b6-3+.
What are the key properties of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane?
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane has a molecular weight of 258.24 g/mol, XLogP of 3.13, 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-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane is sourced from PubChem (CID 162408232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).