1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone

C14H8F4O — CID 114068675

IUPAC1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C14H8F4O/c1-7(19)10-3-2-8(15)4-11(10)14-12(17)5-9(16)6-13(14)18/h2-6H,1H3
InChIKeyHAZNKWJXFGIZDN-UHFFFAOYSA-N
MW268.21 g/mol
LogP4.11
Rot. Bonds2

About 1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone

1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone (PubChem CID 114068675) has the molecular formula C14H8F4O and a molecular weight of 268.21 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone
PubChem CID114068675
Molecular FormulaC14H8F4O
Molecular Weight268.21 g/mol
Exact Mass268.05
IUPAC Name1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C14H8F4O/c1-7(19)10-3-2-8(15)4-11(10)14-12(17)5-9(16)6-13(14)18/h2-6H,1H3
InChIKeyHAZNKWJXFGIZDN-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone (CID 114068675) is 1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone is CC(=O)c1ccc(F)cc1-c1c(F)cc(F)cc1F.
What is the InChIKey of 1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone?
The InChIKey is HAZNKWJXFGIZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O/c1-7(19)10-3-2-8(15)4-11(10)14-12(17)5-9(16)6-13(14)18/h2-6H,1H3.
What are the key properties of 1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone?
1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone has a molecular weight of 268.21 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone is sourced from PubChem (CID 114068675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).