ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate

C10H8ClF3O3 — CID 171004532

IUPACethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate
SMILESCCOC(=O)c1c(Cl)cc(F)cc1OC(F)F
InChIInChI=1S/C10H8ClF3O3/c1-2-16-9(15)8-6(11)3-5(12)4-7(8)17-10(13)14/h3-4,10H,2H2,1H3
InChIKeyUIHMVGDZDBAHCE-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.26
Rot. Bonds4

About ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate

ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate (PubChem CID 171004532) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate.

Molecular Properties

Compound Nameethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate
PubChem CID171004532
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Nameethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate
SMILESCCOC(=O)c1c(Cl)cc(F)cc1OC(F)F
InChIInChI=1S/C10H8ClF3O3/c1-2-16-9(15)8-6(11)3-5(12)4-7(8)17-10(13)14/h3-4,10H,2H2,1H3
InChIKeyUIHMVGDZDBAHCE-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate 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 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228210
ethyl 4-chloro-2-(difluoromethoxy)-5-fluorobenzoate
CID 171005077
ethyl 2,5-dichloro-4-(difluoromethoxy)benzoate
CID 121228202
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 4-bromo-3-chloro-5-(difluoromethoxy)benzoate
CID 171006694
ethyl 2-amino-3-(difluoromethoxy)-6-fluorobenzoate
CID 171011065
ethyl 2-(chloromethyl)-4-cyano-6-(difluoromethoxy)benzoate
CID 134650442
ethyl 4-chloro-5-(difluoromethoxy)-2-formylbenzoate
CID 171005080
3,5-dichloro-4-ethoxycarbonylbenzoic acid
CID 71062898
ethyl 2-(chloromethyl)-4-fluoro-6-methoxybenzoate
CID 171019605
ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate
CID 171004298
ethyl 3-chloro-2,5,6-trifluorobenzoate
CID 134644179

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate?
The IUPAC name of ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate (CID 171004532) is ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate.
What is the SMILES notation for ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate?
The canonical SMILES for ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate is CCOC(=O)c1c(Cl)cc(F)cc1OC(F)F.
What is the InChIKey of ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate?
The InChIKey is UIHMVGDZDBAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-2-16-9(15)8-6(11)3-5(12)4-7(8)17-10(13)14/h3-4,10H,2H2,1H3.
What are the key properties of ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate?
ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate has a molecular weight of 268.62 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate is sourced from PubChem (CID 171004532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).