methyl 2-(2-amino-3-fluorophenyl)acetate

C9H10FNO2 — CID 86693009

IUPACmethyl 2-(2-amino-3-fluorophenyl)acetate
SMILESCOC(=O)Cc1cccc(F)c1N
InChIInChI=1S/C9H10FNO2/c1-13-8(12)5-6-3-2-4-7(10)9(6)11/h2-4H,5,11H2,1H3
InChIKeyWHWAKZBESYEWOM-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.12
Rot. Bonds2

About methyl 2-(2-amino-3-fluorophenyl)acetate

methyl 2-(2-amino-3-fluorophenyl)acetate (PubChem CID 86693009) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is methyl 2-(2-amino-3-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-3-fluorophenyl)acetate
PubChem CID86693009
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namemethyl 2-(2-amino-3-fluorophenyl)acetate
SMILESCOC(=O)Cc1cccc(F)c1N
InChIInChI=1S/C9H10FNO2/c1-13-8(12)5-6-3-2-4-7(10)9(6)11/h2-4H,5,11H2,1H3
InChIKeyWHWAKZBESYEWOM-UHFFFAOYSA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.12
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-3-fluorophenyl)acetate?
The IUPAC name of methyl 2-(2-amino-3-fluorophenyl)acetate (CID 86693009) is methyl 2-(2-amino-3-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(2-amino-3-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(2-amino-3-fluorophenyl)acetate is COC(=O)Cc1cccc(F)c1N.
What is the InChIKey of methyl 2-(2-amino-3-fluorophenyl)acetate?
The InChIKey is WHWAKZBESYEWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-13-8(12)5-6-3-2-4-7(10)9(6)11/h2-4H,5,11H2,1H3.
What are the key properties of methyl 2-(2-amino-3-fluorophenyl)acetate?
methyl 2-(2-amino-3-fluorophenyl)acetate has a molecular weight of 183.18 g/mol, XLogP of 1.12, 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-fluorophenyl)acetate is sourced from PubChem (CID 86693009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).