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

C9H7Cl2F2NO2 — CID 166132527

IUPACmethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)c1c(Cl)ccc(Cl)c1N
InChIInChI=1S/C9H7Cl2F2NO2/c1-16-8(15)9(12,13)6-4(10)2-3-5(11)7(6)14/h2-3H,14H2,1H3
InChIKeyKIFNITHLGHQMCB-UHFFFAOYSA-N
MW270.06 g/mol
LogP2.84
Rot. Bonds2

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

methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate (PubChem CID 166132527) has the molecular formula C9H7Cl2F2NO2 and a molecular weight of 270.06 g/mol. Its IUPAC name is methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate
PubChem CID166132527
Molecular FormulaC9H7Cl2F2NO2
Molecular Weight270.06 g/mol
Exact Mass268.98
IUPAC Namemethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)c1c(Cl)ccc(Cl)c1N
InChIInChI=1S/C9H7Cl2F2NO2/c1-16-8(15)9(12,13)6-4(10)2-3-5(11)7(6)14/h2-3H,14H2,1H3
InChIKeyKIFNITHLGHQMCB-UHFFFAOYSA-N
XLogP2.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetate
CID 101780191
Potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate
CID 70313619
Ethyl 2-(2-amino-3-chlorophenyl)-2,2-difluoroacetate
CID 140207180
Ethyl 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate
CID 140207181
Ethyl 2-(2-amino-6-chloro-3-fluorophenyl)-2,2-difluoroacetate
CID 140207182
Ethyl 2-(2-amino-4-chloro-3-fluorophenyl)-2,2-difluoroacetate
CID 140207196
Ethyl 2-(2-amino-6-chloro-3-methylphenyl)-2,2-difluoroacetate
CID 140207197
Ethyl 2-(6-amino-2-chloro-3-fluorophenyl)-2,2-difluoroacetate
CID 140207209
Ethyl 2-(6-amino-3-chloro-2-methylphenyl)-2,2-difluoroacetate
CID 140207210
Ethyl 2-(2-amino-5-chloro-3-fluorophenyl)-2,2-difluoroacetate
CID 140207212
Ethyl 2-(2-amino-4-chlorophenyl)-2,2-difluoroacetate
CID 140207217
Ethyl 2-(2-amino-6-chlorophenyl)-2,2-difluoroacetate
CID 140207220

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate?
The IUPAC name of methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate (CID 166132527) is methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate?
The canonical SMILES for methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate is COC(=O)C(F)(F)c1c(Cl)ccc(Cl)c1N.
What is the InChIKey of methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate?
The InChIKey is KIFNITHLGHQMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F2NO2/c1-16-8(15)9(12,13)6-4(10)2-3-5(11)7(6)14/h2-3H,14H2,1H3.
What are the key properties of methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate?
methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate has a molecular weight of 270.06 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate is sourced from PubChem (CID 166132527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).