methyl 2-(2-amino-4,5-difluorophenyl)acetate

C9H9F2NO2 — CID 66656825

IUPACmethyl 2-(2-amino-4,5-difluorophenyl)acetate
SMILESCOC(=O)Cc1cc(F)c(F)cc1N
InChIInChI=1S/C9H9F2NO2/c1-14-9(13)3-5-2-6(10)7(11)4-8(5)12/h2,4H,3,12H2,1H3
InChIKeyOVSMXYNQEQYDHT-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.26
Rot. Bonds2

About methyl 2-(2-amino-4,5-difluorophenyl)acetate

methyl 2-(2-amino-4,5-difluorophenyl)acetate (PubChem CID 66656825) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is methyl 2-(2-amino-4,5-difluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4,5-difluorophenyl)acetate
PubChem CID66656825
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Namemethyl 2-(2-amino-4,5-difluorophenyl)acetate
SMILESCOC(=O)Cc1cc(F)c(F)cc1N
InChIInChI=1S/C9H9F2NO2/c1-14-9(13)3-5-2-6(10)7(11)4-8(5)12/h2,4H,3,12H2,1H3
InChIKeyOVSMXYNQEQYDHT-UHFFFAOYSA-N
XLogP1.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.26
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 methyl 2-(2-amino-4,5-difluorophenyl)acetate?
The IUPAC name of methyl 2-(2-amino-4,5-difluorophenyl)acetate (CID 66656825) is methyl 2-(2-amino-4,5-difluorophenyl)acetate.
What is the SMILES notation for methyl 2-(2-amino-4,5-difluorophenyl)acetate?
The canonical SMILES for methyl 2-(2-amino-4,5-difluorophenyl)acetate is COC(=O)Cc1cc(F)c(F)cc1N.
What is the InChIKey of methyl 2-(2-amino-4,5-difluorophenyl)acetate?
The InChIKey is OVSMXYNQEQYDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-14-9(13)3-5-2-6(10)7(11)4-8(5)12/h2,4H,3,12H2,1H3.
What are the key properties of methyl 2-(2-amino-4,5-difluorophenyl)acetate?
methyl 2-(2-amino-4,5-difluorophenyl)acetate has a molecular weight of 201.17 g/mol, XLogP of 1.26, 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-4,5-difluorophenyl)acetate is sourced from PubChem (CID 66656825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).