1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one

C15H11F2NO4 — CID 4591024

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one
SMILESO=C1N(c2ccc3c(c2)OCCO3)C(c2ccco2)C1(F)F
InChIInChI=1S/C15H11F2NO4/c16-15(17)13(11-2-1-5-20-11)18(14(15)19)9-3-4-10-12(8-9)22-7-6-21-10/h1-5,8,13H,6-7H2
InChIKeyJWRXVSAVWZTEQT-UHFFFAOYSA-N
MW307.25 g/mol
LogP2.77
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one (PubChem CID 4591024) has the molecular formula C15H11F2NO4 and a molecular weight of 307.25 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one
PubChem CID4591024
Molecular FormulaC15H11F2NO4
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one
SMILESO=C1N(c2ccc3c(c2)OCCO3)C(c2ccco2)C1(F)F
InChIInChI=1S/C15H11F2NO4/c16-15(17)13(11-2-1-5-20-11)18(14(15)19)9-3-4-10-12(8-9)22-7-6-21-10/h1-5,8,13H,6-7H2
InChIKeyJWRXVSAVWZTEQT-UHFFFAOYSA-N
XLogP2.77
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one (CID 4591024) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one is O=C1N(c2ccc3c(c2)OCCO3)C(c2ccco2)C1(F)F.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one?
The InChIKey is JWRXVSAVWZTEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO4/c16-15(17)13(11-2-1-5-20-11)18(14(15)19)9-3-4-10-12(8-9)22-7-6-21-10/h1-5,8,13H,6-7H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one has a molecular weight of 307.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoro-4-(furan-2-yl)azetidin-2-one is sourced from PubChem (CID 4591024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).