2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole

C11H10F2O4 — CID 167790526

IUPAC2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole
SMILESFC1(F)Oc2ccc(OCC3COC3)cc2O1
InChIInChI=1S/C11H10F2O4/c12-11(13)16-9-2-1-8(3-10(9)17-11)15-6-7-4-14-5-7/h1-3,7H,4-6H2
InChIKeyXYOVZTLCSRWLNI-UHFFFAOYSA-N
MW244.19 g/mol
LogP2.03
Rot. Bonds3

About 2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole

2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole (PubChem CID 167790526) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is 2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole.

Molecular Properties

Compound Name2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole
PubChem CID167790526
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole
SMILESFC1(F)Oc2ccc(OCC3COC3)cc2O1
InChIInChI=1S/C11H10F2O4/c12-11(13)16-9-2-1-8(3-10(9)17-11)15-6-7-4-14-5-7/h1-3,7H,4-6H2
InChIKeyXYOVZTLCSRWLNI-UHFFFAOYSA-N
XLogP2.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole?
The IUPAC name of 2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole (CID 167790526) is 2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole.
What is the SMILES notation for 2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole?
The canonical SMILES for 2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole is FC1(F)Oc2ccc(OCC3COC3)cc2O1.
What is the InChIKey of 2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole?
The InChIKey is XYOVZTLCSRWLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O4/c12-11(13)16-9-2-1-8(3-10(9)17-11)15-6-7-4-14-5-7/h1-3,7H,4-6H2.
What are the key properties of 2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole?
2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole has a molecular weight of 244.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole is sourced from PubChem (CID 167790526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).