ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate

C19H18F2O4 — CID 138977418

IUPACethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(C(C)=O)cc1OCc1ccccc1
InChIInChI=1S/C19H18F2O4/c1-3-24-18(23)19(20,21)16-10-9-15(13(2)22)11-17(16)25-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyBAMGPUFRFAHEDM-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.12
Rot. Bonds7

About ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate

ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate (PubChem CID 138977418) has the molecular formula C19H18F2O4 and a molecular weight of 348.35 g/mol. Its IUPAC name is ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate
PubChem CID138977418
Molecular FormulaC19H18F2O4
Molecular Weight348.35 g/mol
Exact Mass348.12
IUPAC Nameethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(C(C)=O)cc1OCc1ccccc1
InChIInChI=1S/C19H18F2O4/c1-3-24-18(23)19(20,21)16-10-9-15(13(2)22)11-17(16)25-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyBAMGPUFRFAHEDM-UHFFFAOYSA-N
XLogP4.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-
CID 123493
3'-Methoxyflavone
CID 619834
6,3'-Dimethoxyflavone
CID 676293
Ethanone, 1-(3-phenoxyphenyl)-
CID 36249
4'-(Octyloxy)-[1,1'-biphenyl]-4-carboxylic acid
CID 2802556
Cresentyl
CID 69193
4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
CID 5319482
Tecarfarin
CID 54718618
4-(Heptyloxy)-4'-biphenylcarboxylic Acid
CID 4433908
1-(3-(Phenylmethoxy)phenyl)ethan-1-one
CID 98689
3-Acetylphenyl benzoate
CID 266111
m-Acetylphenyl acetate
CID 75563

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate (CID 138977418) is ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1ccc(C(C)=O)cc1OCc1ccccc1.
What is the InChIKey of ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate?
The InChIKey is BAMGPUFRFAHEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O4/c1-3-24-18(23)19(20,21)16-10-9-15(13(2)22)11-17(16)25-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate?
ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate has a molecular weight of 348.35 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetyl-2-phenylmethoxyphenyl)-2,2-difluoroacetate is sourced from PubChem (CID 138977418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).