ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate

C18H18F2O2 — CID 117048127

IUPACethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2O2/c1-3-22-17(21)18(2,12-13-7-5-4-6-8-13)14-9-15(19)11-16(20)10-14/h4-11H,3,12H2,1-2H3
InChIKeyPLJZQNDRAMFZDK-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.03
Rot. Bonds5

About ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate

ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate (PubChem CID 117048127) has the molecular formula C18H18F2O2 and a molecular weight of 304.34 g/mol. Its IUPAC name is ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate
PubChem CID117048127
Molecular FormulaC18H18F2O2
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Nameethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2O2/c1-3-22-17(21)18(2,12-13-7-5-4-6-8-13)14-9-15(19)11-16(20)10-14/h4-11H,3,12H2,1-2H3
InChIKeyPLJZQNDRAMFZDK-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
CID 57419846
ethyl 2-(4-cyanophenyl)-2-methyl-3-phenylpropanoate
CID 117048143
ethyl 2-benzyl-2-fluorobut-3-enoate
CID 71480711
diethyl 2-benzyl-2-(2-fluorophenyl)propanedioate
CID 114982602
ethyl 2-benzyl-2-cyano-3-(4-fluorophenyl)propanoate
CID 175273324
ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate
CID 102009919
2,2-dibenzyl-3-ethoxy-3-oxopropanoic acid
CID 14551025
diethyl 2-benzyl-2-[(2-methylpropan-2-yl)oxy]propanedioate
CID 135197301
ethyl (2S)-2-amino-2-benzyl-3,3,3-trifluoropropanoate
CID 56840522
ethyl 2-amino-2-benzylbutanoate
CID 10857051
2-benzyl-2-ethoxycarbonylpentanoic acid
CID 103973697
ethyl (2S)-2-amino-2-benzyl-3-hydroxypropanoate
CID 10987872

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate?
The IUPAC name of ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate (CID 117048127) is ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate?
The canonical SMILES for ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate is CCOC(=O)C(C)(Cc1ccccc1)c1cc(F)cc(F)c1.
What is the InChIKey of ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate?
The InChIKey is PLJZQNDRAMFZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O2/c1-3-22-17(21)18(2,12-13-7-5-4-6-8-13)14-9-15(19)11-16(20)10-14/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate?
ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate has a molecular weight of 304.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 117048127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).