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

C9H10FNO3 — CID 105451939

IUPACmethyl 2-aminooxy-2-(3-fluorophenyl)acetate
SMILESCOC(=O)C(ON)c1cccc(F)c1
InChIInChI=1S/C9H10FNO3/c1-13-9(12)8(14-11)6-3-2-4-7(10)5-6/h2-5,8H,11H2,1H3
InChIKeyCQAWRNQSDSTEQY-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.93
Rot. Bonds3

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

methyl 2-aminooxy-2-(3-fluorophenyl)acetate (PubChem CID 105451939) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is methyl 2-aminooxy-2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-aminooxy-2-(3-fluorophenyl)acetate
PubChem CID105451939
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Namemethyl 2-aminooxy-2-(3-fluorophenyl)acetate
SMILESCOC(=O)C(ON)c1cccc(F)c1
InChIInChI=1S/C9H10FNO3/c1-13-9(12)8(14-11)6-3-2-4-7(10)5-6/h2-5,8H,11H2,1H3
InChIKeyCQAWRNQSDSTEQY-UHFFFAOYSA-N
XLogP0.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate
CID 170961786
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635
methyl 3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methylbutanoate
CID 81365512
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
methyl 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]butanoate
CID 113292653
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774
methyl 4-(3-fluorophenyl)-4-hydroxybutanoate
CID 60731823
methyl (3R)-3-amino-3-(3-fluorophenyl)-2,2-dimethylpropanoate
CID 171239221
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
dimethyl 2-(3-fluorophenoxy)propanedioate
CID 94688000
methyl 2-bromo-3-[1-(3-fluorophenyl)ethylamino]propanoate
CID 103245889

Frequently Asked Questions

What is the IUPAC name of methyl 2-aminooxy-2-(3-fluorophenyl)acetate?
The IUPAC name of methyl 2-aminooxy-2-(3-fluorophenyl)acetate (CID 105451939) is methyl 2-aminooxy-2-(3-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-aminooxy-2-(3-fluorophenyl)acetate?
The canonical SMILES for methyl 2-aminooxy-2-(3-fluorophenyl)acetate is COC(=O)C(ON)c1cccc(F)c1.
What is the InChIKey of methyl 2-aminooxy-2-(3-fluorophenyl)acetate?
The InChIKey is CQAWRNQSDSTEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-13-9(12)8(14-11)6-3-2-4-7(10)5-6/h2-5,8H,11H2,1H3.
What are the key properties of methyl 2-aminooxy-2-(3-fluorophenyl)acetate?
methyl 2-aminooxy-2-(3-fluorophenyl)acetate has a molecular weight of 199.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminooxy-2-(3-fluorophenyl)acetate is sourced from PubChem (CID 105451939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).