methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate

C10H11ClFNO2 — CID 70417960

IUPACmethyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)c1cccc(F)c1Cl
InChIInChI=1S/C10H11ClFNO2/c1-13-9(10(14)15-2)6-4-3-5-7(12)8(6)11/h3-5,9,13H,1-2H3
InChIKeyVIPHBJAUXXRTQS-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.91
Rot. Bonds3

About methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate

methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate (PubChem CID 70417960) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate
PubChem CID70417960
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Namemethyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)c1cccc(F)c1Cl
InChIInChI=1S/C10H11ClFNO2/c1-13-9(10(14)15-2)6-4-3-5-7(12)8(6)11/h3-5,9,13H,1-2H3
InChIKeyVIPHBJAUXXRTQS-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate?
The IUPAC name of methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate (CID 70417960) is methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate.
What is the SMILES notation for methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate?
The canonical SMILES for methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate is CNC(C(=O)OC)c1cccc(F)c1Cl.
What is the InChIKey of methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate?
The InChIKey is VIPHBJAUXXRTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-13-9(10(14)15-2)6-4-3-5-7(12)8(6)11/h3-5,9,13H,1-2H3.
What are the key properties of methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate?
methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate has a molecular weight of 231.65 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-3-fluorophenyl)-2-(methylamino)acetate is sourced from PubChem (CID 70417960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).