ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate

C19H18F2O3 — CID 164684537

IUPACethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate
SMILESCCOC(=O)C(F)(F)CC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18F2O3/c1-2-24-18(23)19(20,21)13-16(14-9-5-3-6-10-14)17(22)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyFUHJYEBZOJJZQO-UHFFFAOYSA-N
MW332.35 g/mol
LogP4.24
Rot. Bonds7

About ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate

ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate (PubChem CID 164684537) has the molecular formula C19H18F2O3 and a molecular weight of 332.35 g/mol. Its IUPAC name is ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate
PubChem CID164684537
Molecular FormulaC19H18F2O3
Molecular Weight332.35 g/mol
Exact Mass332.12
IUPAC Nameethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate
SMILESCCOC(=O)C(F)(F)CC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18F2O3/c1-2-24-18(23)19(20,21)13-16(14-9-5-3-6-10-14)17(22)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyFUHJYEBZOJJZQO-UHFFFAOYSA-N
XLogP4.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (4S)-2,2-difluoro-4,5-bis(4-fluorophenyl)-5-oxopentanoate
CID 122395328
ethyl (2S,3S)-2-bromo-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 101158378
4,4-dimethyl-1,2-diphenylpentan-1-one
CID 78133328
ethyl 2,2,3-trimethyl-4-oxo-4-phenylbutanoate
CID 101353023
ethyl 5-amino-2-benzoyl-4,4-difluoro-5-oxopentanoate
CID 54590608
(2S)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-phenylbutan-1-one
CID 129404550
ethyl 2-benzoyl-2,3,3,3-tetrafluoropropanoate
CID 15698185
ethyl (2S)-2-bromo-2-methyl-3-oxo-3-phenylpropanoate
CID 101364316
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
CID 177423158
CID 177423158
4,4,5,5,6,6,7,7,7-nonafluoro-2-(4-methylphenyl)-1-phenylheptan-1-one
CID 165389851
ethyl 2-benzhydrylsulfanyl-2,2-difluoroacetate
CID 59639402

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate?
The IUPAC name of ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate (CID 164684537) is ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate.
What is the SMILES notation for ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate?
The canonical SMILES for ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate is CCOC(=O)C(F)(F)CC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate?
The InChIKey is FUHJYEBZOJJZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O3/c1-2-24-18(23)19(20,21)13-16(14-9-5-3-6-10-14)17(22)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3.
What are the key properties of ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate?
ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate has a molecular weight of 332.35 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate is sourced from PubChem (CID 164684537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).