methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate

C9H7Cl2FO2 — CID 171559872

IUPACmethyl 2-(2,3-dichlorophenyl)-2-fluoroacetate
SMILESCOC(=O)C(F)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl2FO2/c1-14-9(13)8(12)5-3-2-4-6(10)7(5)11/h2-4,8H,1H3
InChIKeyGRICGVYEXVLKBC-UHFFFAOYSA-N
MW237.06 g/mol
LogP3.18
Rot. Bonds2

About methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate

methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate (PubChem CID 171559872) has the molecular formula C9H7Cl2FO2 and a molecular weight of 237.06 g/mol. Its IUPAC name is methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dichlorophenyl)-2-fluoroacetate
PubChem CID171559872
Molecular FormulaC9H7Cl2FO2
Molecular Weight237.06 g/mol
Exact Mass235.98
IUPAC Namemethyl 2-(2,3-dichlorophenyl)-2-fluoroacetate
SMILESCOC(=O)C(F)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl2FO2/c1-14-9(13)8(12)5-3-2-4-6(10)7(5)11/h2-4,8H,1H3
InChIKeyGRICGVYEXVLKBC-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 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 methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate?
The IUPAC name of methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate (CID 171559872) is methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate.
What is the SMILES notation for methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate?
The canonical SMILES for methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate is COC(=O)C(F)c1cccc(Cl)c1Cl.
What is the InChIKey of methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate?
The InChIKey is GRICGVYEXVLKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO2/c1-14-9(13)8(12)5-3-2-4-6(10)7(5)11/h2-4,8H,1H3.
What are the key properties of methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate?
methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate has a molecular weight of 237.06 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dichlorophenyl)-2-fluoroacetate is sourced from PubChem (CID 171559872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).