methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate

C10H12FNO3 — CID 171030606

IUPACmethyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(N)c(F)c1OC
InChIInChI=1S/C10H12FNO3/c1-14-8(13)5-6-3-4-7(12)9(11)10(6)15-2/h3-4H,5,12H2,1-2H3
InChIKeyHNOMXOFTHGFLRB-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.13
Rot. Bonds3

About methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate

methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate (PubChem CID 171030606) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate
PubChem CID171030606
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(N)c(F)c1OC
InChIInChI=1S/C10H12FNO3/c1-14-8(13)5-6-3-4-7(12)9(11)10(6)15-2/h3-4H,5,12H2,1-2H3
InChIKeyHNOMXOFTHGFLRB-UHFFFAOYSA-N
XLogP1.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-amino-3-fluoro-2-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate (CID 171030606) is methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate is COC(=O)Cc1ccc(N)c(F)c1OC.
What is the InChIKey of methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate?
The InChIKey is HNOMXOFTHGFLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-14-8(13)5-6-3-4-7(12)9(11)10(6)15-2/h3-4H,5,12H2,1-2H3.
What are the key properties of methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate?
methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate has a molecular weight of 213.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate is sourced from PubChem (CID 171030606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).