ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate

C12H14F2O3 — CID 62395381

IUPACethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(OCC)cc1
InChIInChI=1S/C12H14F2O3/c1-3-16-10-7-5-9(6-8-10)12(13,14)11(15)17-4-2/h5-8H,3-4H2,1-2H3
InChIKeyGAEQNBWOUNINSN-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.74
Rot. Bonds5

About ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate

ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate (PubChem CID 62395381) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
PubChem CID62395381
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(OCC)cc1
InChIInChI=1S/C12H14F2O3/c1-3-16-10-7-5-9(6-8-10)12(13,14)11(15)17-4-2/h5-8H,3-4H2,1-2H3
InChIKeyGAEQNBWOUNINSN-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-difluoro-2-(4-propoxyphenyl)acetate
CID 55120663
ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
CID 46220012
ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate
CID 19797954
ethyl 2-(4-ethylsulfanylphenyl)-2,2-difluoroacetate
CID 125472129
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate
CID 118647046
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
ethyl (3S)-3-amino-3-(4-ethoxyphenyl)-2,2-difluoropropanoate
CID 171246535
tert-butyl 4-(2-ethoxy-1,1-difluoro-2-oxoethyl)benzoate
CID 162398541
ethyl 2-[4-(tert-butyliminomethyl)phenyl]-2,2-difluoroacetate
CID 162397983
ethyl 2,2-difluoro-2-[4-(pyrimidin-2-ylamino)phenyl]acetate
CID 162400453

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate (CID 62395381) is ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate?
The InChIKey is GAEQNBWOUNINSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-3-16-10-7-5-9(6-8-10)12(13,14)11(15)17-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate?
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate has a molecular weight of 244.24 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate is sourced from PubChem (CID 62395381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).