ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate

C13H16F2O3 — CID 66453939

IUPACethyl 2,2-difluoro-2-(4-propylphenoxy)acetate
SMILESCCCc1ccc(OC(F)(F)C(=O)OCC)cc1
InChIInChI=1S/C13H16F2O3/c1-3-5-10-6-8-11(9-7-10)18-13(14,15)12(16)17-4-2/h6-9H,3-5H2,1-2H3
InChIKeyGCGPBYJTFYPCLB-UHFFFAOYSA-N
MW258.26 g/mol
LogP3.17
Rot. Bonds6

About ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate

ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate (PubChem CID 66453939) has the molecular formula C13H16F2O3 and a molecular weight of 258.26 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(4-propylphenoxy)acetate
PubChem CID66453939
Molecular FormulaC13H16F2O3
Molecular Weight258.26 g/mol
Exact Mass258.11
IUPAC Nameethyl 2,2-difluoro-2-(4-propylphenoxy)acetate
SMILESCCCc1ccc(OC(F)(F)C(=O)OCC)cc1
InChIInChI=1S/C13H16F2O3/c1-3-5-10-6-8-11(9-7-10)18-13(14,15)12(16)17-4-2/h6-9H,3-5H2,1-2H3
InChIKeyGCGPBYJTFYPCLB-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate
CID 113322624
ethyl 2,2-difluoro-2-[4-(hydroxymethyl)phenoxy]acetate
CID 66453718
ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate
CID 66452413
2-(4-butylphenoxy)-2,2-difluoroacetohydrazide
CID 115493486
ethyl (Z)-2,2-difluoro-4-(4-propylphenyl)but-3-enoate
CID 163210304
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095
ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate
CID 66452196
ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
CID 62549258
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
2,2-difluoro-2-[4-(3,4,5-trifluorophenyl)phenoxy]acetaldehyde;ethyl 2,2-difluoro-2-[4-(3,4,5-trifluorophenyl)phenoxy]acetate
CID 157338042
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate (CID 66453939) is ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate is CCCc1ccc(OC(F)(F)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate?
The InChIKey is GCGPBYJTFYPCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O3/c1-3-5-10-6-8-11(9-7-10)18-13(14,15)12(16)17-4-2/h6-9H,3-5H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate?
ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate has a molecular weight of 258.26 g/mol, XLogP of 3.17, 6 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-propylphenoxy)acetate is sourced from PubChem (CID 66453939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).