1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone

C16H13F3O2 — CID 176900313

IUPAC1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O2/c1-11(20)12-2-4-13(5-3-12)14-6-8-15(9-7-14)21-10-16(17,18)19/h2-9H,10H2,1H3
InChIKeyUGCLQMXZLLEPPL-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.50
Rot. Bonds4

About 1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone

1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone (PubChem CID 176900313) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone
PubChem CID176900313
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O2/c1-11(20)12-2-4-13(5-3-12)14-6-8-15(9-7-14)21-10-16(17,18)19/h2-9H,10H2,1H3
InChIKeyUGCLQMXZLLEPPL-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone (CID 176900313) is 1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone?
The InChIKey is UGCLQMXZLLEPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-11(20)12-2-4-13(5-3-12)14-6-8-15(9-7-14)21-10-16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone?
1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone has a molecular weight of 294.27 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone is sourced from PubChem (CID 176900313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).