8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde

C10H11FO4 — CID 89058206

IUPAC8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde
SMILESCOC1=CC(C=O)C(F)C2=C1OCCO2
InChIInChI=1S/C10H11FO4/c1-13-7-4-6(5-12)8(11)10-9(7)14-2-3-15-10/h4-6,8H,2-3H2,1H3
InChIKeyYFGBDFUFGIYCFD-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.94
Rot. Bonds2

About 8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde

8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde (PubChem CID 89058206) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde.

Molecular Properties

Compound Name8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde
PubChem CID89058206
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde
SMILESCOC1=CC(C=O)C(F)C2=C1OCCO2
InChIInChI=1S/C10H11FO4/c1-13-7-4-6(5-12)8(11)10-9(7)14-2-3-15-10/h4-6,8H,2-3H2,1H3
InChIKeyYFGBDFUFGIYCFD-UHFFFAOYSA-N
XLogP0.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde?
The IUPAC name of 8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde (CID 89058206) is 8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde.
What is the SMILES notation for 8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde?
The canonical SMILES for 8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde is COC1=CC(C=O)C(F)C2=C1OCCO2.
What is the InChIKey of 8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde?
The InChIKey is YFGBDFUFGIYCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-13-7-4-6(5-12)8(11)10-9(7)14-2-3-15-10/h4-6,8H,2-3H2,1H3.
What are the key properties of 8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde?
8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde has a molecular weight of 214.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methoxy-2,3,7,8-tetrahydro-1,4-benzodioxine-7-carbaldehyde is sourced from PubChem (CID 89058206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).