methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate

C11H11FO5 — CID 117357005

IUPACmethyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc2c(cc1CF)OCO2
InChIInChI=1S/C11H11FO5/c1-15-11(14)10(13)7-3-9-8(16-5-17-9)2-6(7)4-12/h2-3,10,13H,4-5H2,1H3
InChIKeyNORZYEPYSVCWFG-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.09
Rot. Bonds3

About methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate

methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate (PubChem CID 117357005) has the molecular formula C11H11FO5 and a molecular weight of 242.20 g/mol. Its IUPAC name is methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate
PubChem CID117357005
Molecular FormulaC11H11FO5
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Namemethyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc2c(cc1CF)OCO2
InChIInChI=1S/C11H11FO5/c1-15-11(14)10(13)7-3-9-8(16-5-17-9)2-6(7)4-12/h2-3,10,13H,4-5H2,1H3
InChIKeyNORZYEPYSVCWFG-UHFFFAOYSA-N
XLogP1.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(6-chloro-1,3-benzodioxol-5-yl)-2-hydroxyacetate
CID 22467215
methyl 2-hydroxy-2-[6-(trifluoromethyl)-1,3-benzodioxol-5-yl]acetate
CID 117445672
methyl 2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)-2-hydroxyacetate
CID 117487765
methyl 2-(7-bromo-6-hydroxy-1,3-benzodioxol-5-yl)-2-hydroxyacetate
CID 117490165
methyl 3-(6-bromo-1,3-benzodioxol-5-yl)-2,3-dihydroxypropanoate
CID 171865363
methyl 2-(6-bromo-1,3-benzodioxol-5-yl)propanoate
CID 105426519
methyl (2S)-2-amino-2-(6-chloro-1,3-benzodioxol-5-yl)acetate
CID 131278092
methyl 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetate
CID 117491996
methyl 2-bromo-2-(6-chloro-1,3-benzodioxol-5-yl)acetate
CID 22467204
[5-(1-hydroxy-2-methoxy-2-oxoethyl)-1,3-benzodioxol-4-yl]boronic acid
CID 117388047
methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate
CID 117305027
methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117318188

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate (CID 117357005) is methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate is COC(=O)C(O)c1cc2c(cc1CF)OCO2.
What is the InChIKey of methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate?
The InChIKey is NORZYEPYSVCWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO5/c1-15-11(14)10(13)7-3-9-8(16-5-17-9)2-6(7)4-12/h2-3,10,13H,4-5H2,1H3.
What are the key properties of methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate?
methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate has a molecular weight of 242.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(fluoromethyl)-1,3-benzodioxol-5-yl]-2-hydroxyacetate is sourced from PubChem (CID 117357005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).