2-methoxyethyl 4-amino-3-fluorobenzoate

C10H12FNO3 — CID 62681168

IUPAC2-methoxyethyl 4-amino-3-fluorobenzoate
SMILESCOCCOC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H12FNO3/c1-14-4-5-15-10(13)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5,12H2,1H3
InChIKeyITGWJHCZQMJMEW-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.21
Rot. Bonds4

About 2-methoxyethyl 4-amino-3-fluorobenzoate

2-methoxyethyl 4-amino-3-fluorobenzoate (PubChem CID 62681168) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-methoxyethyl 4-amino-3-fluorobenzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-amino-3-fluorobenzoate
PubChem CID62681168
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-methoxyethyl 4-amino-3-fluorobenzoate
SMILESCOCCOC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H12FNO3/c1-14-4-5-15-10(13)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5,12H2,1H3
InChIKeyITGWJHCZQMJMEW-UHFFFAOYSA-N
XLogP1.21
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-amino-4-fluorobenzoate
CID 104563056
3-fluoropropyl 4-amino-3-fluorobenzoate
CID 81114032
(3-hydroxy-3-methylbutyl) 4-amino-3-fluorobenzoate
CID 79355200
5-hydroxypentyl 4-amino-3-fluorobenzoate
CID 55103413
2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate
CID 61309264
2-propan-2-ylsulfonylethyl 4-amino-3-fluorobenzoate
CID 106728821
2-propylsulfonylethyl 4-amino-3-fluorobenzoate
CID 106728823
2-tert-butylsulfonylethyl 4-amino-3-fluorobenzoate
CID 106728822
3-(2-methoxyethoxy)propyl 3-amino-4-fluorobenzoate
CID 103403556
(3-methoxy-2,2-dimethyl-3-oxopropyl) 4-amino-3-fluorobenzoate
CID 79621802
(2,5-dimethylphenyl)methyl 4-amino-3-fluorobenzoate
CID 62681353
(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682624

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-amino-3-fluorobenzoate?
The IUPAC name of 2-methoxyethyl 4-amino-3-fluorobenzoate (CID 62681168) is 2-methoxyethyl 4-amino-3-fluorobenzoate.
What is the SMILES notation for 2-methoxyethyl 4-amino-3-fluorobenzoate?
The canonical SMILES for 2-methoxyethyl 4-amino-3-fluorobenzoate is COCCOC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 2-methoxyethyl 4-amino-3-fluorobenzoate?
The InChIKey is ITGWJHCZQMJMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-14-4-5-15-10(13)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 2-methoxyethyl 4-amino-3-fluorobenzoate?
2-methoxyethyl 4-amino-3-fluorobenzoate has a molecular weight of 213.21 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-amino-3-fluorobenzoate is sourced from PubChem (CID 62681168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).