ethyl 3-(2,5-difluorophenoxy)propanoate

C11H12F2O3 — CID 63268646

IUPACethyl 3-(2,5-difluorophenoxy)propanoate
SMILESCCOC(=O)CCOc1cc(F)ccc1F
InChIInChI=1S/C11H12F2O3/c1-2-15-11(14)5-6-16-10-7-8(12)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKeyFIJCBRXCQGSRAJ-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.30
Rot. Bonds5

About ethyl 3-(2,5-difluorophenoxy)propanoate

ethyl 3-(2,5-difluorophenoxy)propanoate (PubChem CID 63268646) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is ethyl 3-(2,5-difluorophenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,5-difluorophenoxy)propanoate
PubChem CID63268646
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Nameethyl 3-(2,5-difluorophenoxy)propanoate
SMILESCCOC(=O)CCOc1cc(F)ccc1F
InChIInChI=1S/C11H12F2O3/c1-2-15-11(14)5-6-16-10-7-8(12)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKeyFIJCBRXCQGSRAJ-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(2,5-difluorophenoxy)propanoate 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 6-(2-fluoro-5-methylphenoxy)hexanoate
CID 64855551
ethyl 4-(2-amino-4-fluorophenoxy)butanoate
CID 19742044
ethyl 2-amino-5-(2,5-difluorophenoxy)-2-methylpentanoate
CID 63269809
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233
ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 43365238
1-(2,5-difluorophenoxy)pentan-2-one
CID 63269916
3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
CID 76992494
3-(2,5-difluorophenoxy)propanimidamide
CID 63269341
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
ethyl 4-(4-fluoro-3-methoxyphenyl)-4-oxobutanoate
CID 114016246
3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64853662
N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
CID 63268657

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,5-difluorophenoxy)propanoate?
The IUPAC name of ethyl 3-(2,5-difluorophenoxy)propanoate (CID 63268646) is ethyl 3-(2,5-difluorophenoxy)propanoate.
What is the SMILES notation for ethyl 3-(2,5-difluorophenoxy)propanoate?
The canonical SMILES for ethyl 3-(2,5-difluorophenoxy)propanoate is CCOC(=O)CCOc1cc(F)ccc1F.
What is the InChIKey of ethyl 3-(2,5-difluorophenoxy)propanoate?
The InChIKey is FIJCBRXCQGSRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-2-15-11(14)5-6-16-10-7-8(12)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of ethyl 3-(2,5-difluorophenoxy)propanoate?
ethyl 3-(2,5-difluorophenoxy)propanoate has a molecular weight of 230.21 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,5-difluorophenoxy)propanoate is sourced from PubChem (CID 63268646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).