[2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate

C22H16F2O3 — CID 8578754

IUPAC[2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C22H16F2O3/c23-17-11-12-19(24)18(13-17)20(25)14-27-22(26)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21H,14H2
InChIKeyIEGNQWASIHEZHV-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.52
Rot. Bonds6

About [2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate

[2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 8578754) has the molecular formula C22H16F2O3 and a molecular weight of 366.36 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate
PubChem CID8578754
Molecular FormulaC22H16F2O3
Molecular Weight366.36 g/mol
Exact Mass366.11
IUPAC Name[2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C22H16F2O3/c23-17-11-12-19(24)18(13-17)20(25)14-27-22(26)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21H,14H2
InChIKeyIEGNQWASIHEZHV-UHFFFAOYSA-N
XLogP4.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenacyl 2,2-diphenylacetate
CID 597416
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 7542520
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16611351
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
CID 116751709
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448
[2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825189
2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
CID 116595920
2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 60643058
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449429

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate (CID 8578754) is [2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate is O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is IEGNQWASIHEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2O3/c23-17-11-12-19(24)18(13-17)20(25)14-27-22(26)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21H,14H2.
What are the key properties of [2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate?
[2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 366.36 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate is sourced from PubChem (CID 8578754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).