methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate

C11H12FNO3 — CID 19106832

IUPACmethyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate
SMILESC=C(COc1cc(F)ccc1N)C(=O)OC
InChIInChI=1S/C11H12FNO3/c1-7(11(14)15-2)6-16-10-5-8(12)3-4-9(10)13/h3-5H,1,6,13H2,2H3
InChIKeyFHHNACYGTXMYRE-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.52
Rot. Bonds4

About methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate

methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate (PubChem CID 19106832) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate
PubChem CID19106832
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Namemethyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate
SMILESC=C(COc1cc(F)ccc1N)C(=O)OC
InChIInChI=1S/C11H12FNO3/c1-7(11(14)15-2)6-16-10-5-8(12)3-4-9(10)13/h3-5H,1,6,13H2,2H3
InChIKeyFHHNACYGTXMYRE-UHFFFAOYSA-N
XLogP1.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate (CID 19106832) is methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate is C=C(COc1cc(F)ccc1N)C(=O)OC.
What is the InChIKey of methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate?
The InChIKey is FHHNACYGTXMYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(11(14)15-2)6-16-10-5-8(12)3-4-9(10)13/h3-5H,1,6,13H2,2H3.
What are the key properties of methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate?
methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate has a molecular weight of 225.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-5-fluorophenoxy)methyl]prop-2-enoate is sourced from PubChem (CID 19106832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).