ethyl 2-chloro-2-(2,4-difluorophenyl)acetate

C10H9ClF2O2 — CID 62224736

IUPACethyl 2-chloro-2-(2,4-difluorophenyl)acetate
SMILESCCOC(=O)C(Cl)c1ccc(F)cc1F
InChIInChI=1S/C10H9ClF2O2/c1-2-15-10(14)9(11)7-4-3-6(12)5-8(7)13/h3-5,9H,2H2,1H3
InChIKeyWAZPHMDGTCCCMB-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.81
Rot. Bonds3

About ethyl 2-chloro-2-(2,4-difluorophenyl)acetate

ethyl 2-chloro-2-(2,4-difluorophenyl)acetate (PubChem CID 62224736) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is ethyl 2-chloro-2-(2,4-difluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-(2,4-difluorophenyl)acetate
PubChem CID62224736
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Nameethyl 2-chloro-2-(2,4-difluorophenyl)acetate
SMILESCCOC(=O)C(Cl)c1ccc(F)cc1F
InChIInChI=1S/C10H9ClF2O2/c1-2-15-10(14)9(11)7-4-3-6(12)5-8(7)13/h3-5,9H,2H2,1H3
InChIKeyWAZPHMDGTCCCMB-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'}

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Related Compounds

ethyl 2-(2,4-difluorophenyl)-3-oxopropanoate
CID 21200441
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
ethyl 3-(2,4-difluorophenyl)-2-formamido-3-hydroxypropanoate
CID 66205926
ethyl 2-chloro-2-(3,5-difluorophenyl)acetate
CID 106531981
ethyl 2-chloro-2-(4-ethoxy-3-fluorophenyl)acetate
CID 116863125
ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299005
2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610
ethyl 2-chloro-3-(2,4,6-trifluorophenyl)propanoate
CID 83197240
ethyl 3-(2,5-difluorophenyl)-2-fluoro-3-hydroxypropanoate
CID 79366836
ethyl 3-(2-amino-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865814
ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
CID 124634186
1-(2,4-difluorophenyl)-1-methoxybutan-2-one
CID 83225368

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-(2,4-difluorophenyl)acetate?
The IUPAC name of ethyl 2-chloro-2-(2,4-difluorophenyl)acetate (CID 62224736) is ethyl 2-chloro-2-(2,4-difluorophenyl)acetate.
What is the SMILES notation for ethyl 2-chloro-2-(2,4-difluorophenyl)acetate?
The canonical SMILES for ethyl 2-chloro-2-(2,4-difluorophenyl)acetate is CCOC(=O)C(Cl)c1ccc(F)cc1F.
What is the InChIKey of ethyl 2-chloro-2-(2,4-difluorophenyl)acetate?
The InChIKey is WAZPHMDGTCCCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c1-2-15-10(14)9(11)7-4-3-6(12)5-8(7)13/h3-5,9H,2H2,1H3.
What are the key properties of ethyl 2-chloro-2-(2,4-difluorophenyl)acetate?
ethyl 2-chloro-2-(2,4-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-(2,4-difluorophenyl)acetate is sourced from PubChem (CID 62224736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).