methyl 4-fluoro-2-(methoxymethyl)benzoate

C10H11FO3 — CID 21075354

IUPACmethyl 4-fluoro-2-(methoxymethyl)benzoate
SMILESCOCc1cc(F)ccc1C(=O)OC
InChIInChI=1S/C10H11FO3/c1-13-6-7-5-8(11)3-4-9(7)10(12)14-2/h3-5H,6H2,1-2H3
InChIKeyJAUDYYXLZJUKOU-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.76
Rot. Bonds3

About methyl 4-fluoro-2-(methoxymethyl)benzoate

methyl 4-fluoro-2-(methoxymethyl)benzoate (PubChem CID 21075354) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is methyl 4-fluoro-2-(methoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-(methoxymethyl)benzoate
PubChem CID21075354
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namemethyl 4-fluoro-2-(methoxymethyl)benzoate
SMILESCOCc1cc(F)ccc1C(=O)OC
InChIInChI=1S/C10H11FO3/c1-13-6-7-5-8(11)3-4-9(7)10(12)14-2/h3-5H,6H2,1-2H3
InChIKeyJAUDYYXLZJUKOU-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate
CID 11390757
4-fluoro-2-(methoxymethyl)benzenecarbothioamide
CID 64765248
methyl 5-fluoro-2-(hydroxymethyl)benzoate
CID 99769873
methyl 2-[(5-bromo-2-methyl-3-pyridinyl)oxymethyl]-4-fluorobenzoate
CID 90079109
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407593
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
methyl 2-ethynyl-4-fluorobenzoate
CID 130038458
methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate
CID 154711170
methyl 4-fluoro-2-(sulfanylmethylsulfonylamino)benzoate
CID 88558706
methyl 5-fluoro-2-(propanoylamino)benzoate
CID 60787953

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-(methoxymethyl)benzoate?
The IUPAC name of methyl 4-fluoro-2-(methoxymethyl)benzoate (CID 21075354) is methyl 4-fluoro-2-(methoxymethyl)benzoate.
What is the SMILES notation for methyl 4-fluoro-2-(methoxymethyl)benzoate?
The canonical SMILES for methyl 4-fluoro-2-(methoxymethyl)benzoate is COCc1cc(F)ccc1C(=O)OC.
What is the InChIKey of methyl 4-fluoro-2-(methoxymethyl)benzoate?
The InChIKey is JAUDYYXLZJUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-13-6-7-5-8(11)3-4-9(7)10(12)14-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 4-fluoro-2-(methoxymethyl)benzoate?
methyl 4-fluoro-2-(methoxymethyl)benzoate has a molecular weight of 198.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-(methoxymethyl)benzoate is sourced from PubChem (CID 21075354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).