methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate

C11H11FO4 — CID 175222678

IUPACmethyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate
SMILESCOC(=O)CC1COc2cc(F)ccc2O1
InChIInChI=1S/C11H11FO4/c1-14-11(13)5-8-6-15-10-4-7(12)2-3-9(10)16-8/h2-4,8H,5-6H2,1H3
InChIKeyVXXZOUPWYMGXTQ-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.53
Rot. Bonds2

About methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate

methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate (PubChem CID 175222678) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate
PubChem CID175222678
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Namemethyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate
SMILESCOC(=O)CC1COc2cc(F)ccc2O1
InChIInChI=1S/C11H11FO4/c1-14-11(13)5-8-6-15-10-4-7(12)2-3-9(10)16-8/h2-4,8H,5-6H2,1H3
InChIKeyVXXZOUPWYMGXTQ-UHFFFAOYSA-N
XLogP1.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112466
[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112467
N-[1-[[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 121418598
methyl 2-[6-fluoro-3-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-chromen-4-yl]propanoate
CID 155762833
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,4-difluoro-N-methylbenzamide
CID 51144824
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 5-fluoro-2-methylbenzoate
CID 55473173
N-[[(3S)-6-(4-fluorophenoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]hydroxylamine
CID 10062845
1-[(3S)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-3-methoxypropan-2-one
CID 176611690
ethane;6-fluoro-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 144624453
ethyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-3-yl)-3-oxobutanoate
CID 176861752
methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 26434581

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate?
The IUPAC name of methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate (CID 175222678) is methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate?
The canonical SMILES for methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate is COC(=O)CC1COc2cc(F)ccc2O1.
What is the InChIKey of methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate?
The InChIKey is VXXZOUPWYMGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-14-11(13)5-8-6-15-10-4-7(12)2-3-9(10)16-8/h2-4,8H,5-6H2,1H3.
What are the key properties of methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate?
methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate has a molecular weight of 226.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate is sourced from PubChem (CID 175222678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).