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

C14H10F2O — CID 175686731

IUPAC1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1-c1ccc(F)cc1
InChIInChI=1S/C14H10F2O/c1-9(17)14-12(3-2-4-13(14)16)10-5-7-11(15)8-6-10/h2-8H,1H3
InChIKeySYZKPVFCRPNGMZ-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.83
Rot. Bonds2

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

1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone (PubChem CID 175686731) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone
PubChem CID175686731
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1-c1ccc(F)cc1
InChIInChI=1S/C14H10F2O/c1-9(17)14-12(3-2-4-13(14)16)10-5-7-11(15)8-6-10/h2-8H,1H3
InChIKeySYZKPVFCRPNGMZ-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone (CID 175686731) is 1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone is CC(=O)c1c(F)cccc1-c1ccc(F)cc1.
What is the InChIKey of 1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone?
The InChIKey is SYZKPVFCRPNGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O/c1-9(17)14-12(3-2-4-13(14)16)10-5-7-11(15)8-6-10/h2-8H,1H3.
What are the key properties of 1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone?
1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone has a molecular weight of 232.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone is sourced from PubChem (CID 175686731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).