ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate

C10H9Cl2F2NO2 — CID 166132511

IUPACethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1c(Cl)ccc(Cl)c1N
InChIInChI=1S/C10H9Cl2F2NO2/c1-2-17-9(16)10(13,14)7-5(11)3-4-6(12)8(7)15/h3-4H,2,15H2,1H3
InChIKeyARJWYHTWLOKEBZ-UHFFFAOYSA-N
MW284.09 g/mol
LogP3.23
Rot. Bonds3

About ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate

ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate (PubChem CID 166132511) has the molecular formula C10H9Cl2F2NO2 and a molecular weight of 284.09 g/mol. Its IUPAC name is ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate
PubChem CID166132511
Molecular FormulaC10H9Cl2F2NO2
Molecular Weight284.09 g/mol
Exact Mass283.00
IUPAC Nameethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1c(Cl)ccc(Cl)c1N
InChIInChI=1S/C10H9Cl2F2NO2/c1-2-17-9(16)10(13,14)7-5(11)3-4-6(12)8(7)15/h3-4H,2,15H2,1H3
InChIKeyARJWYHTWLOKEBZ-UHFFFAOYSA-N
XLogP3.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate (CID 166132511) is ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1c(Cl)ccc(Cl)c1N.
What is the InChIKey of ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate?
The InChIKey is ARJWYHTWLOKEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F2NO2/c1-2-17-9(16)10(13,14)7-5(11)3-4-6(12)8(7)15/h3-4H,2,15H2,1H3.
What are the key properties of ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate?
ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate has a molecular weight of 284.09 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate is sourced from PubChem (CID 166132511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).