2-methoxyethyl 2,4-difluorobenzoate

C10H10F2O3 — CID 78830751

IUPAC2-methoxyethyl 2,4-difluorobenzoate
SMILESCOCCOC(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O3/c1-14-4-5-15-10(13)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5H2,1H3
InChIKeyIIDMHPIIDVEULG-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.77
Rot. Bonds4

About 2-methoxyethyl 2,4-difluorobenzoate

2-methoxyethyl 2,4-difluorobenzoate (PubChem CID 78830751) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-methoxyethyl 2,4-difluorobenzoate.

Molecular Properties

Compound Name2-methoxyethyl 2,4-difluorobenzoate
PubChem CID78830751
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2-methoxyethyl 2,4-difluorobenzoate
SMILESCOCCOC(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O3/c1-14-4-5-15-10(13)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5H2,1H3
InChIKeyIIDMHPIIDVEULG-UHFFFAOYSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyethyl 2,4-difluorobenzoate 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

2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980
icosyl 2,4-difluorobenzoate
CID 91723271
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
2,2,2-trifluoroethyl 2,4-difluorobenzoate
CID 22149746
1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone
CID 54936394
carbamoyl 2,4-difluorobenzoate
CID 21202786
propyl 2,5-difluorobenzoate
CID 43416946
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
3-methoxypropyl 2-fluorobenzoate
CID 63297243
dibutyl 4-fluorobenzene-1,2-dicarboxylate
CID 23502472
[2-(2-methoxyethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837378

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2,4-difluorobenzoate?
The IUPAC name of 2-methoxyethyl 2,4-difluorobenzoate (CID 78830751) is 2-methoxyethyl 2,4-difluorobenzoate.
What is the SMILES notation for 2-methoxyethyl 2,4-difluorobenzoate?
The canonical SMILES for 2-methoxyethyl 2,4-difluorobenzoate is COCCOC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-methoxyethyl 2,4-difluorobenzoate?
The InChIKey is IIDMHPIIDVEULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-14-4-5-15-10(13)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-methoxyethyl 2,4-difluorobenzoate?
2-methoxyethyl 2,4-difluorobenzoate has a molecular weight of 216.18 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,4-difluorobenzoate is sourced from PubChem (CID 78830751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).