ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate

C17H16F2O3 — CID 46220012

IUPACethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
SMILESCCOC(=O)C(F)(F)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16F2O3/c1-3-22-16(20)17(18,19)14-8-4-12(5-9-14)13-6-10-15(21-2)11-7-13/h4-11H,3H2,1-2H3
InChIKeyNPQCIMHTOHRZFJ-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.02
Rot. Bonds5

About ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate

ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate (PubChem CID 46220012) has the molecular formula C17H16F2O3 and a molecular weight of 306.31 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
PubChem CID46220012
Molecular FormulaC17H16F2O3
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Nameethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
SMILESCCOC(=O)C(F)(F)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16F2O3/c1-3-22-16(20)17(18,19)14-8-4-12(5-9-14)13-6-10-15(21-2)11-7-13/h4-11H,3H2,1-2H3
InChIKeyNPQCIMHTOHRZFJ-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
CID 22575053
ethyl 2,2-difluoro-2-(4-propoxyphenyl)acetate
CID 55120663
ethyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 10945637
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
diethyl 2-acetyloxy-2-(4-methoxyphenyl)propanedioate
CID 14066104
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
ethyl 3,3,3-trifluoro-2-(4-methoxyphenoxy)-2-(trifluoromethyl)propanoate
CID 13384242
ethyl 2-(4-ethylsulfanylphenyl)-2,2-difluoroacetate
CID 125472129
ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
CID 121000481

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate?
The IUPAC name of ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate (CID 46220012) is ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate is CCOC(=O)C(F)(F)c1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate?
The InChIKey is NPQCIMHTOHRZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3/c1-3-22-16(20)17(18,19)14-8-4-12(5-9-14)13-6-10-15(21-2)11-7-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate?
ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate has a molecular weight of 306.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate is sourced from PubChem (CID 46220012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).