7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine

C15H12FNO3S — CID 91468970

IUPAC7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine
SMILESFc1ccc2c(c1)OCC(c1cc3c(cn1)OCCS3)O2
InChIInChI=1S/C15H12FNO3S/c16-9-1-2-11-12(5-9)19-8-14(20-11)10-6-15-13(7-17-10)18-3-4-21-15/h1-2,5-7,14H,3-4,8H2
InChIKeyFCOBIZANNHKZAD-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.22
Rot. Bonds1

About 7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine

7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine (PubChem CID 91468970) has the molecular formula C15H12FNO3S and a molecular weight of 305.33 g/mol. Its IUPAC name is 7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine.

Molecular Properties

Compound Name7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine
PubChem CID91468970
Molecular FormulaC15H12FNO3S
Molecular Weight305.33 g/mol
Exact Mass305.05
IUPAC Name7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine
SMILESFc1ccc2c(c1)OCC(c1cc3c(cn1)OCCS3)O2
InChIInChI=1S/C15H12FNO3S/c16-9-1-2-11-12(5-9)19-8-14(20-11)10-6-15-13(7-17-10)18-3-4-21-15/h1-2,5-7,14H,3-4,8H2
InChIKeyFCOBIZANNHKZAD-UHFFFAOYSA-N
XLogP3.22
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
The IUPAC name of 7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine (CID 91468970) is 7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine.
What is the SMILES notation for 7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
The canonical SMILES for 7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine is Fc1ccc2c(c1)OCC(c1cc3c(cn1)OCCS3)O2.
What is the InChIKey of 7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
The InChIKey is FCOBIZANNHKZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3S/c16-9-1-2-11-12(5-9)19-8-14(20-11)10-6-15-13(7-17-10)18-3-4-21-15/h1-2,5-7,14H,3-4,8H2.
What are the key properties of 7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine has a molecular weight of 305.33 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine is sourced from PubChem (CID 91468970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).