2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane

C13H17FO3 — CID 169164340

IUPAC2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane
SMILESCC.COC(OC)c1oc2ccccc2c1F
InChIInChI=1S/C11H11FO3.C2H6/c1-13-11(14-2)10-9(12)7-5-3-4-6-8(7)15-10;1-2/h3-6,11H,1-2H3;1-2H3
InChIKeyWDTBJMZCTJTAMO-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.89
Rot. Bonds3

About 2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane

2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane (PubChem CID 169164340) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane
PubChem CID169164340
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane
SMILESCC.COC(OC)c1oc2ccccc2c1F
InChIInChI=1S/C11H11FO3.C2H6/c1-13-11(14-2)10-9(12)7-5-3-4-6-8(7)15-10;1-2/h3-6,11H,1-2H3;1-2H3
InChIKeyWDTBJMZCTJTAMO-UHFFFAOYSA-N
XLogP3.89
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane?
The IUPAC name of 2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane (CID 169164340) is 2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane.
What is the SMILES notation for 2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane?
The canonical SMILES for 2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane is CC.COC(OC)c1oc2ccccc2c1F.
What is the InChIKey of 2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane?
The InChIKey is WDTBJMZCTJTAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3.C2H6/c1-13-11(14-2)10-9(12)7-5-3-4-6-8(7)15-10;1-2/h3-6,11H,1-2H3;1-2H3.
What are the key properties of 2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane?
2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane has a molecular weight of 240.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3-fluoro-1-benzofuran;ethane is sourced from PubChem (CID 169164340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).