1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene

C13H15F3O2 — CID 139750632

IUPAC1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene
SMILESC=C(C)c1ccc(OC(C)OCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3O2/c1-9(2)11-4-6-12(7-5-11)18-10(3)17-8-13(14,15)16/h4-7,10H,1,8H2,2-3H3
InChIKeyYPPXDMZNBNELBD-UHFFFAOYSA-N
MW260.25 g/mol
LogP4.02
Rot. Bonds5

About 1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene

1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene (PubChem CID 139750632) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene
PubChem CID139750632
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene
SMILESC=C(C)c1ccc(OC(C)OCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3O2/c1-9(2)11-4-6-12(7-5-11)18-10(3)17-8-13(14,15)16/h4-7,10H,1,8H2,2-3H3
InChIKeyYPPXDMZNBNELBD-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 54.02
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-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The IUPAC name of 1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene (CID 139750632) is 1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene.
What is the SMILES notation for 1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The canonical SMILES for 1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene is C=C(C)c1ccc(OC(C)OCC(F)(F)F)cc1.
What is the InChIKey of 1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The InChIKey is YPPXDMZNBNELBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-9(2)11-4-6-12(7-5-11)18-10(3)17-8-13(14,15)16/h4-7,10H,1,8H2,2-3H3.
What are the key properties of 1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene?
1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene has a molecular weight of 260.25 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene is sourced from PubChem (CID 139750632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).