[1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene

C15H12F4O — CID 134917360

IUPAC[1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene
SMILESFC(c1ccccc1)C(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H12F4O/c16-13(11-7-3-1-4-8-11)14(20-15(17,18)19)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyROXMXVOHEZFOOD-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.97
Rot. Bonds4

About [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene

[1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene (PubChem CID 134917360) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene.

Molecular Properties

Compound Name[1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene
PubChem CID134917360
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name[1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene
SMILESFC(c1ccccc1)C(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H12F4O/c16-13(11-7-3-1-4-8-11)14(20-15(17,18)19)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyROXMXVOHEZFOOD-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene 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 [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene?
The IUPAC name of [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene (CID 134917360) is [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene.
What is the SMILES notation for [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene?
The canonical SMILES for [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene is FC(c1ccccc1)C(OC(F)(F)F)c1ccccc1.
What is the InChIKey of [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene?
The InChIKey is ROXMXVOHEZFOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c16-13(11-7-3-1-4-8-11)14(20-15(17,18)19)12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene?
[1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene has a molecular weight of 284.25 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene is sourced from PubChem (CID 134917360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).