ethyl 2-chloro-2-(3,5-difluorophenyl)acetate

C10H9ClF2O2 — CID 106531981

IUPACethyl 2-chloro-2-(3,5-difluorophenyl)acetate
SMILESCCOC(=O)C(Cl)c1cc(F)cc(F)c1
InChIInChI=1S/C10H9ClF2O2/c1-2-15-10(14)9(11)6-3-7(12)5-8(13)4-6/h3-5,9H,2H2,1H3
InChIKeyZBLYROVVHPERKQ-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.81
Rot. Bonds3

About ethyl 2-chloro-2-(3,5-difluorophenyl)acetate

ethyl 2-chloro-2-(3,5-difluorophenyl)acetate (PubChem CID 106531981) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is ethyl 2-chloro-2-(3,5-difluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-(3,5-difluorophenyl)acetate
PubChem CID106531981
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Nameethyl 2-chloro-2-(3,5-difluorophenyl)acetate
SMILESCCOC(=O)C(Cl)c1cc(F)cc(F)c1
InChIInChI=1S/C10H9ClF2O2/c1-2-15-10(14)9(11)6-3-7(12)5-8(13)4-6/h3-5,9H,2H2,1H3
InChIKeyZBLYROVVHPERKQ-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 52.81
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-(3,5-difluorophenyl)acetate 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 2-(3-fluoro-5-methylphenyl)-3-methylbutanoate
CID 79690318
2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
CID 106531991
ethyl 2-[(3,5-difluorophenyl)-hydroxymethyl]pentanoate
CID 106532010
ethyl 2-chloro-2-(2,4-difluorophenyl)acetate
CID 62224736
ethyl 2-chloro-2-(4-ethoxy-3-fluorophenyl)acetate
CID 116863125
ethyl 2-chloro-2-(3-methylphenyl)acetate
CID 22600133
ethyl (3S)-3-amino-3-(3-chloro-5-fluorophenyl)-2-fluoropropanoate
CID 171247936
ethyl 4-(3,5-difluorophenyl)-3,4-dihydroxybutanoate
CID 171896963
ethyl 2-chloro-3-(2,4,6-trifluorophenyl)propanoate
CID 83197240
ethyl 2-chloro-2-(4-cyclohexyl-3-fluoro-5-methylphenyl)acetate
CID 21454158
ethyl 2-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate
CID 88734278
ethyl 2-chloro-2-(6-methylnaphthalen-2-yl)acetate
CID 116863158

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-(3,5-difluorophenyl)acetate?
The IUPAC name of ethyl 2-chloro-2-(3,5-difluorophenyl)acetate (CID 106531981) is ethyl 2-chloro-2-(3,5-difluorophenyl)acetate.
What is the SMILES notation for ethyl 2-chloro-2-(3,5-difluorophenyl)acetate?
The canonical SMILES for ethyl 2-chloro-2-(3,5-difluorophenyl)acetate is CCOC(=O)C(Cl)c1cc(F)cc(F)c1.
What is the InChIKey of ethyl 2-chloro-2-(3,5-difluorophenyl)acetate?
The InChIKey is ZBLYROVVHPERKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c1-2-15-10(14)9(11)6-3-7(12)5-8(13)4-6/h3-5,9H,2H2,1H3.
What are the key properties of ethyl 2-chloro-2-(3,5-difluorophenyl)acetate?
ethyl 2-chloro-2-(3,5-difluorophenyl)acetate has a molecular weight of 234.63 g/mol, XLogP of 2.81, 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-(3,5-difluorophenyl)acetate is sourced from PubChem (CID 106531981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).