2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane

C13H13F3O — CID 11550489

IUPAC2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane
SMILESFC(F)(F)c1ccc(/C=C/C2CCCO2)cc1
InChIInChI=1S/C13H13F3O/c14-13(15,16)11-6-3-10(4-7-11)5-8-12-2-1-9-17-12/h3-8,12H,1-2,9H2/b8-5+
InChIKeySQBPBJUYCVMZTO-VMPITWQZSA-N
MW242.24 g/mol
LogP3.90
Rot. Bonds2

About 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane

2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane (PubChem CID 11550489) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane.

Molecular Properties

Compound Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane
PubChem CID11550489
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane
SMILESFC(F)(F)c1ccc(/C=C/C2CCCO2)cc1
InChIInChI=1S/C13H13F3O/c14-13(15,16)11-6-3-10(4-7-11)5-8-12-2-1-9-17-12/h3-8,12H,1-2,9H2/b8-5+
InChIKeySQBPBJUYCVMZTO-VMPITWQZSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane 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

2-[(E)-2-(4-fluorophenyl)ethenyl]oxolane
CID 102418770
[4-(Trifluoromethyl)benzyl]isopropyl ether
CID 70810457
(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445
Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)-
CID 11402200
{[(1,3-Difluoropropan-2-yl)oxy]methyl}benzene
CID 13168526
[(E)-3-(trifluoromethoxy)prop-1-enyl]benzene
CID 21696255
Benzyl[(1S)-1-methyl-2,2,2-trifluoroethyl] ether
CID 67197315
2-[4-(Trifluoromethyl)phenyl]tetrahydrofuran
CID 72665644
2-[2-(2-Fluorophenyl)ethenyl]oxolane
CID 85860955
2-[2-(3-Fluorophenyl)ethenyl]oxolane
CID 134847394
(E)-2-Styryltetrahydrofuran
CID 12508235
4-(Trifluoromethyl)phenyl methanol, 1-methylpropyl ether
CID 91723452

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane?
The IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane (CID 11550489) is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane.
What is the SMILES notation for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane?
The canonical SMILES for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane is FC(F)(F)c1ccc(/C=C/C2CCCO2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane?
The InChIKey is SQBPBJUYCVMZTO-VMPITWQZSA-N. The full InChI is InChI=1S/C13H13F3O/c14-13(15,16)11-6-3-10(4-7-11)5-8-12-2-1-9-17-12/h3-8,12H,1-2,9H2/b8-5+.
What are the key properties of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane?
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane has a molecular weight of 242.24 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxolane is sourced from PubChem (CID 11550489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).