methoxymethyl 3-amino-4-fluorobenzoate

C9H10FNO3 — CID 65364698

IUPACmethoxymethyl 3-amino-4-fluorobenzoate
SMILESCOCOC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C9H10FNO3/c1-13-5-14-9(12)6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3
InChIKeyUEOBKNKKTROSCX-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.17
Rot. Bonds3

About methoxymethyl 3-amino-4-fluorobenzoate

methoxymethyl 3-amino-4-fluorobenzoate (PubChem CID 65364698) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is methoxymethyl 3-amino-4-fluorobenzoate.

Molecular Properties

Compound Namemethoxymethyl 3-amino-4-fluorobenzoate
PubChem CID65364698
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Namemethoxymethyl 3-amino-4-fluorobenzoate
SMILESCOCOC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C9H10FNO3/c1-13-5-14-9(12)6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3
InChIKeyUEOBKNKKTROSCX-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-amino-4-fluorobenzoate
CID 104563056
propyl 3-amino-4-fluorobenzoate
CID 60834719
3-(2-methoxyethoxy)propyl 3-amino-4-fluorobenzoate
CID 103403556
methoxymethyl 4-aminobenzoate
CID 65364414
cyclopropylmethyl 3-amino-4-fluorobenzoate
CID 61150324
3-methylsulfonylpropyl 3-amino-4-fluorobenzoate
CID 63191963
2-methoxyethyl 4-amino-3-fluorobenzoate
CID 62681168
2-(3-amino-4-fluorobenzoyl)oxyethanesulfonic acid
CID 129061793
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-fluorobenzoate
CID 61322622
2-butoxyethyl 3-amino-4-fluorobenzoate
CID 61304263
difluoromethyl 3-amino-4-fluorobenzoate
CID 61322619
methoxymethyl 4-hydroxybenzoate
CID 58114704

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 3-amino-4-fluorobenzoate?
The IUPAC name of methoxymethyl 3-amino-4-fluorobenzoate (CID 65364698) is methoxymethyl 3-amino-4-fluorobenzoate.
What is the SMILES notation for methoxymethyl 3-amino-4-fluorobenzoate?
The canonical SMILES for methoxymethyl 3-amino-4-fluorobenzoate is COCOC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of methoxymethyl 3-amino-4-fluorobenzoate?
The InChIKey is UEOBKNKKTROSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-13-5-14-9(12)6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3.
What are the key properties of methoxymethyl 3-amino-4-fluorobenzoate?
methoxymethyl 3-amino-4-fluorobenzoate has a molecular weight of 199.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 3-amino-4-fluorobenzoate is sourced from PubChem (CID 65364698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).