[3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol

C11H11F3O2 — CID 164915273

IUPAC[3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESC=Cc1cc(CO)cc(OCC(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-2-8-3-9(6-15)5-10(4-8)16-7-11(12,13)14/h2-5,15H,1,6-7H2
InChIKeyAEGPINRTEKJOFD-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.76
Rot. Bonds4

About [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol

[3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol (PubChem CID 164915273) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol
PubChem CID164915273
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name[3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESC=Cc1cc(CO)cc(OCC(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-2-8-3-9(6-15)5-10(4-8)16-7-11(12,13)14/h2-5,15H,1,6-7H2
InChIKeyAEGPINRTEKJOFD-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol?
The IUPAC name of [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol (CID 164915273) is [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol.
What is the SMILES notation for [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol?
The canonical SMILES for [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol is C=Cc1cc(CO)cc(OCC(F)(F)F)c1.
What is the InChIKey of [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol?
The InChIKey is AEGPINRTEKJOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-2-8-3-9(6-15)5-10(4-8)16-7-11(12,13)14/h2-5,15H,1,6-7H2.
What are the key properties of [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol?
[3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol has a molecular weight of 232.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol is sourced from PubChem (CID 164915273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).