1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene

C12H13F3O2 — CID 139750637

IUPAC1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene
SMILESC=Cc1ccccc1OC(C)OCC(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-3-10-6-4-5-7-11(10)17-9(2)16-8-12(13,14)15/h3-7,9H,1,8H2,2H3
InChIKeySLBFCJMGZMGFJY-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.63
Rot. Bonds5

About 1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene

1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene (PubChem CID 139750637) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene
PubChem CID139750637
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene
SMILESC=Cc1ccccc1OC(C)OCC(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-3-10-6-4-5-7-11(10)17-9(2)16-8-12(13,14)15/h3-7,9H,1,8H2,2H3
InChIKeySLBFCJMGZMGFJY-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The IUPAC name of 1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene (CID 139750637) is 1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene.
What is the SMILES notation for 1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The canonical SMILES for 1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene is C=Cc1ccccc1OC(C)OCC(F)(F)F.
What is the InChIKey of 1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The InChIKey is SLBFCJMGZMGFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-3-10-6-4-5-7-11(10)17-9(2)16-8-12(13,14)15/h3-7,9H,1,8H2,2H3.
What are the key properties of 1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene?
1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene has a molecular weight of 246.23 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene is sourced from PubChem (CID 139750637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).