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

C11H11FO4 — CID 105426445

IUPACmethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate
SMILESCOC(=O)C(F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H11FO4/c1-14-11(13)10(12)7-2-3-8-9(6-7)16-5-4-15-8/h2-3,6,10H,4-5H2,1H3
InChIKeyWLBRCGCXTXKYGQ-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.64
Rot. Bonds2

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

methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate (PubChem CID 105426445) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate
PubChem CID105426445
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Namemethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate
SMILESCOC(=O)C(F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H11FO4/c1-14-11(13)10(12)7-2-3-8-9(6-7)16-5-4-15-8/h2-3,6,10H,4-5H2,1H3
InChIKeyWLBRCGCXTXKYGQ-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutanoate
CID 66288795
methyl 4-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoate
CID 60861818
methyl (3S)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171248716
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxypropanamide
CID 115588112
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-2-ol;hydrochloride
CID 171268724
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoate
CID 22592459
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)acetamide
CID 62540820
2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 4625672
(2R,3R)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1,1-trifluoropropan-2-ol
CID 171263046
methyl 4-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanoate
CID 66097936
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
CID 83922196
methyl (2S)-2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoate
CID 70462401

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate?
The IUPAC name of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate (CID 105426445) is methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate?
The canonical SMILES for methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate is COC(=O)C(F)c1ccc2c(c1)OCCO2.
What is the InChIKey of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate?
The InChIKey is WLBRCGCXTXKYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-14-11(13)10(12)7-2-3-8-9(6-7)16-5-4-15-8/h2-3,6,10H,4-5H2,1H3.
What are the key properties of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate?
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate has a molecular weight of 226.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate is sourced from PubChem (CID 105426445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).