ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate

C10H8Cl3FO2 — CID 171559867

IUPACethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate
SMILESCCOC(=O)C(F)(Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl3FO2/c1-2-16-9(15)10(13,14)6-4-3-5-7(11)8(6)12/h3-5H,2H2,1H3
InChIKeyDETRCGZKMUZMAX-UHFFFAOYSA-N
MW285.53 g/mol
LogP3.92
Rot. Bonds3

About ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate

ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate (PubChem CID 171559867) has the molecular formula C10H8Cl3FO2 and a molecular weight of 285.53 g/mol. Its IUPAC name is ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate
PubChem CID171559867
Molecular FormulaC10H8Cl3FO2
Molecular Weight285.53 g/mol
Exact Mass283.96
IUPAC Nameethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate
SMILESCCOC(=O)C(F)(Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl3FO2/c1-2-16-9(15)10(13,14)6-4-3-5-7(11)8(6)12/h3-5H,2H2,1H3
InChIKeyDETRCGZKMUZMAX-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate?
The IUPAC name of ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate (CID 171559867) is ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate is CCOC(=O)C(F)(Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate?
The InChIKey is DETRCGZKMUZMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3FO2/c1-2-16-9(15)10(13,14)6-4-3-5-7(11)8(6)12/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate?
ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate has a molecular weight of 285.53 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-(2,3-dichlorophenyl)-2-fluoroacetate is sourced from PubChem (CID 171559867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).